data_2rpc_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2rpc _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.755 0.312 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -99.11 140.38 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mt -117.98 167.83 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 t -156.51 130.17 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.38 96.67 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -76.96 98.55 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 12.8 t-105 -107.35 112.81 25.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.464 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 2.7 mt -109.98 99.0 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.84 124.08 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.07 -27.94 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.53 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.441 ' NE2' ' HD2' ' A' ' 28' ' ' LYS . 9.7 pt20 -63.05 130.97 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.09 7.1 46.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.412 ' C ' ' HD3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.03 126.54 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -122.52 157.22 59.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.77 150.65 90.51 Favored 'Cis proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.354 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HE2' ' CG2' ' A' ' 19' ' ' ILE . 4.3 mmmm -32.92 125.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.91 157.82 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.05 163.48 15.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -70.86 107.34 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -85.58 110.31 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -172.55 167.51 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.575 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 7.7 p -148.56 167.5 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -146.44 157.5 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -94.43 -21.32 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.4 p -133.77 163.81 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 tpp -69.09 -54.32 15.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -43.42 -49.72 7.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.23 -37.12 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' A' ' 45' ' ' VAL . 8.6 tp -73.64 -25.47 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.46 -58.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.1 m -51.32 -30.48 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.9 t60 -81.9 -62.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.44 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 71.2 t -54.21 -21.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.9 m -93.09 -56.62 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.1 mmm -87.98 -49.98 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 6.3 mm-40 -70.26 2.93 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.41 -71.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 50' ' ' VAL . 2.3 t -70.48 -11.34 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 82.18 178.1 52.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.25 -170.95 41.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.24 3.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.59 -33.13 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -71.81 130.59 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -78.13 -74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -80.79 99.99 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.532 ' CD2' HD22 ' A' ' 78' ' ' LEU . 1.1 p-80 -105.62 126.56 52.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.58 129.08 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -97.19 118.29 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -103.97 97.19 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.601 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.49 145.82 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -44.21 -21.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 62' ' ' TRP . 3.7 pt-20 -159.31 32.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.491 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.67 134.24 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.81 36.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -88.38 -23.68 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 74.95 24.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 60.94 2.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -109.45 150.36 28.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -90.19 156.1 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 77.5 m-85 -109.83 -177.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -108.73 18.86 20.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.52 157.12 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -66.65 -51.59 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 34.8 p90 -55.04 -26.98 41.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 76' ' ' TYR . 14.8 mmtp -66.7 -40.94 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.532 HD22 ' CD2' ' A' ' 58' ' ' HIS . 9.8 tp -76.03 -50.81 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.35 -35.26 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 1.3 t30 -73.1 -29.7 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.08 -53.99 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.44 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.2 mt -49.38 -18.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 42.4 mmm-85 -55.7 -26.95 47.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.63 -20.31 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.601 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.42 -11.89 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.677 0.751 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.2 t -98.2 135.88 21.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.417 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -100.4 132.11 22.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.76 -53.81 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.48 38.6 2.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.2 t -132.73 -42.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.98 21.78 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 12.6 tptm -85.81 152.02 23.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 4.2 mt -140.09 144.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -128.32 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.26 1.74 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -123.84 145.93 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.9 t -74.87 -37.72 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.31 -31.83 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.27 -46.51 76.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.73 -49.95 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -58.97 -38.65 79.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 86.9 mt -78.11 -28.66 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.513 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 8.8 t60 -81.93 -22.23 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.7 mtpm? -73.01 -26.96 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.8 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.927 0.394 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -106.6 132.19 52.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 47.9 t -38.41 126.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.63 -11.85 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.3 t80 -71.76 119.24 15.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.73 148.03 52.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.26 9.19 63.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 7.6 t -108.24 147.29 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.402 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 28.9 m-20 -120.13 105.96 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.402 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 12.2 mmm180 -151.02 -177.79 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -157.21 136.42 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -147.44 160.59 42.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.26 -16.42 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -128.09 128.99 45.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 t -48.2 -20.77 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 66.8 m -66.98 -53.76 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -54.05 -53.34 54.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -52.05 -57.14 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -56.09 -22.7 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 16.1 mtpp -84.18 -21.46 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.4 t60 -84.69 -1.57 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.69 -23.17 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER -54.92 -20.13 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.4 -12.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.638 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.8 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.33 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -90.85 145.02 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 8.0 mt -120.21 166.58 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p -138.36 128.12 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 t -113.81 95.11 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -89.76 98.97 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.744 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 12.3 t-105 -107.25 116.31 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -112.87 105.37 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 123.08 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -25.66 67.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.11 33.73 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.451 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 16.9 pt20 -76.14 129.65 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.59 6.72 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 t -111.59 153.49 26.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 7.1 mmm-85 -150.9 148.44 23.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.8 169.7 62.24 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 0.1 OUTLIER -46.71 108.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 152.72 22.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -102.02 146.49 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.99 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -77.9 110.85 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -169.02 166.52 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.434 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 17.3 p -145.72 169.8 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' THR . 10.2 m-85 -149.84 167.93 25.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.4 p -99.68 -41.16 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 p -120.17 164.03 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.438 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 21.9 tpp -63.99 -48.55 76.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -51.9 -38.63 56.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -62.7 -35.91 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD13 ' CG2' ' A' ' 45' ' ' VAL . 15.6 tp -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.21 -57.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.8 m -50.35 -27.62 6.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' GLU . 37.1 t60 -83.03 -62.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 82' ' ' ILE . 37.4 t -54.2 -21.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.5 m -93.08 -56.26 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.6 mtt -88.15 -49.85 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.8 mm-40 -70.65 3.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.47 -73.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.5 t -69.93 -2.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.11 -153.77 47.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.2 -161.07 13.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.53 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.01 -13.2 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . 4.5 mm100 -73.42 141.89 46.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.28 -76.69 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -87.4 112.13 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -99.78 105.78 17.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.0 t -136.46 138.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.544 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.73 114.88 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.21 97.14 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.74 145.55 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -45.39 -20.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 62' ' ' TRP . 18.4 pm0 -158.74 33.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.3 t -47.01 134.09 8.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.06 35.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.25 -24.73 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 70.49 28.45 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.21 -27.6 17.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.28 104.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p -70.03 -176.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 4.4 m-85 -118.16 -177.49 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.03 20.15 18.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -167.16 163.95 15.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -70.96 -53.85 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.532 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -55.07 -27.97 48.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -63.13 -40.51 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -80.28 -44.61 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.11 -39.4 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -73.47 -23.09 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.33 -51.72 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG2' HG11 ' A' ' 45' ' ' VAL . 2.9 mt -50.03 -19.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.472 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 1.1 mmp_? -57.19 -21.76 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.91 -12.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 7.2 m-70 -89.31 -15.66 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.428 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 54.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.7 t -92.7 136.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.48 2.75 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.0 t80 -96.02 133.23 25.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.76 -53.83 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.608 2.206 . . . . 0.0 112.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.79 43.98 3.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.8 t -134.61 -58.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.42 27.65 68.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 20.5 tptt -95.04 152.32 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 4.1 mt -140.13 143.1 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -127.89 129.25 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.59 -3.02 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -123.19 131.26 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -59.09 -47.91 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -36.26 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -66.12 -37.5 85.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.4 tp -70.65 -51.56 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 41.9 pttt -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 53.6 mt -67.06 -28.81 44.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.483 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 40.5 t60 -81.49 -24.22 36.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -78.02 -35.97 49.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.5 ptp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -122.63 138.0 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -47.67 127.16 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.84 -11.06 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.03 122.69 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 127' ' ' GLY . 37.4 tt0 -62.57 158.55 17.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 126' ' ' GLU . . . 57.33 15.36 15.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.04 141.57 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -123.02 107.33 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -145.31 175.0 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -149.68 118.85 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 68.5 m-85 -123.74 154.36 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.48 -16.47 16.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.545 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -132.98 142.39 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -55.09 -36.19 65.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.3 m -55.83 -55.3 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.06 -52.68 40.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.54 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 9.5 ttp180 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -60.38 -38.17 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -62.9 -19.53 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.6 t60 -86.78 -0.64 56.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.89 -21.81 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -54.82 -20.87 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.597 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.56 116.62 32.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 5.3 mt -106.32 167.94 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.9 m -143.6 144.33 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 102.06 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -92.63 99.0 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.55 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.01 108.54 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.96 103.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.45 -72.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 41.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 5.0 pt20 -59.87 156.61 13.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.0 tp -83.76 -5.29 59.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -103.82 154.32 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.9 tpt180 -152.98 140.11 12.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.74 172.39 49.14 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.377 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' CD ' ' A' ' 23' ' ' GLN . 0.3 OUTLIER -47.16 108.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 165.31 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.8 p -112.75 148.58 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 138.96 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -104.76 122.31 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.91 165.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.581 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -145.83 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 34' ' ' THR . 1.1 m-85 -152.81 164.2 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.0 p -96.82 -31.38 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 p -125.28 158.51 33.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.444 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 22.9 tpp -58.49 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -47.61 -40.12 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.52 -39.6 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 11.8 tp -71.66 -47.93 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -56.66 -54.22 31.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.0 m -47.95 -28.3 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.4 t60 -82.89 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG12 ' CG2' ' A' ' 82' ' ' ILE . 20.7 t -54.19 -21.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.4 m -92.92 -56.46 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.402 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.7 mtt -87.9 -49.91 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 35.8 mm-40 -70.68 3.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.55 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.9 m-70 -142.88 -73.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.9 t -69.97 -2.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.36 -165.27 46.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.3 -166.63 27.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -3.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -80.4 -20.94 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.54 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -75.63 155.02 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -67.99 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -82.38 109.36 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 31.8 m80 -102.34 110.44 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.73 134.31 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 117.38 32.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -102.45 97.21 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 4.9 t-105 -90.73 145.22 24.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -43.14 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -158.79 33.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.1 t -44.2 134.06 4.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -87.23 -18.02 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 69.64 31.81 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.13 58.27 9.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -103.86 115.03 29.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -47.05 170.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.26 179.59 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -82.89 -22.58 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . . . -144.84 172.5 12.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.059 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 1.5 tmtm? -70.72 -48.88 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.5 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 48.3 p90 -62.52 -24.09 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.5 ' HD2' ' CE1' ' A' ' 76' ' ' TYR . 12.4 mmmm -60.34 -40.41 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.14 -41.92 33.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.0 t -51.7 -37.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 95.0 m-20 -70.65 -36.63 73.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -58.93 -47.36 85.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG2' HG12 ' A' ' 45' ' ' VAL . 3.2 mt -55.06 -17.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 14.1 mmm180 -67.74 -23.04 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.8 m -83.3 -20.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.49 -9.66 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.481 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.83 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.8 135.82 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.468 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -99.15 132.46 23.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.3 Cg_endo -69.79 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.36 39.91 2.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.2 t -133.76 -44.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.27 29.28 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -93.32 151.33 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 3.0 mt -141.15 142.28 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -127.64 136.36 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 -14.96 61.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -109.98 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -61.9 -48.98 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -57.19 -28.93 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -55.3 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 91' ' ' PHE . 15.6 tp -56.9 -56.08 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.541 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 7.9 ptmt -48.52 -50.27 32.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.541 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 82.0 mt -63.01 -31.85 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.461 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 9.6 t60 -81.96 -19.94 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 11.6 mtpt -75.6 -30.03 59.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 10.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 62.0 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.9 136.5 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.77 114.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.26 -14.07 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.2 t80 -71.25 119.9 16.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.46 150.94 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.56 9.2 58.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.51 150.49 28.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.19 106.92 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.467 ' NE ' ' CE1' ' A' ' 141' ' ' HIS . 26.0 mmt180 -142.53 -178.69 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -164.3 118.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 130' ' ' ARG . 7.9 m-85 -138.06 155.52 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -104.91 -10.52 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.514 ' N ' HD21 ' A' ' 134' ' ' ASN . 0.0 OUTLIER -134.94 138.62 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 1.3 t -54.59 -47.32 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.9 m -44.56 -39.44 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.49 -45.28 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -57.83 -48.78 78.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -65.41 -20.02 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.22 -20.54 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.0 t60 -86.74 -0.44 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 mmt -88.01 -22.35 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -54.82 -20.02 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.87 -15.29 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.784 0.325 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -84.59 127.85 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.2 mt -92.01 159.8 15.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.4 p -128.51 127.33 42.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.4 t -123.97 103.32 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.34 98.74 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 6.8 t-105 -107.15 125.64 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.11 110.02 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.76 139.13 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 8.8 mt-10 -76.83 -30.03 56.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.55 27.02 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -79.88 135.66 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.9 2.98 40.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 124.65 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -134.48 148.08 66.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 141.66 66.65 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.329 -0.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' PRO . 27.8 mttm -33.36 114.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.9 -178.01 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -115.44 142.74 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.47 176.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.36 115.67 12.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 34' ' ' THR . 7.7 tpm_? -173.36 153.21 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t -155.99 161.02 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 40' ' ' GLU . 37.2 m-85 -153.01 170.83 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -85.87 -40.6 15.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 p -115.19 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.2 tpp -64.26 -55.28 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -42.08 -34.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 35.3 mm-40 -67.53 -42.53 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 9.8 tp -67.54 -44.29 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -51.47 -50.93 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.6 m -51.42 -28.27 12.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.1 t60 -82.98 -62.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.472 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 19.3 t -54.06 -21.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -92.98 -56.5 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.402 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.3 mtt -88.03 -49.72 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 57.9 mm-40 -70.74 3.62 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.698 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.5 m-70 -142.99 -74.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 53.2 t -69.07 -2.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.1 -152.86 48.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.34 -166.72 22.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -12.13 32.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.9 tp10 -90.86 -4.16 56.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' ASN . 1.9 tt0 -66.93 111.77 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 p-10 -35.65 -77.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.8 131.14 54.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.485 ' H ' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -108.38 106.38 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -139.29 127.26 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -94.97 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 44.1 m-85 -101.58 96.99 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.771 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.95 145.02 25.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' CD ' ' OE1' ' A' ' 64' ' ' GLU . 1.4 tm-20 -43.24 -25.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' OE1' ' CD ' ' A' ' 63' ' ' GLU . 13.9 pm0 -154.5 31.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -42.82 134.13 2.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -23.16 31.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.611 2.207 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mtp85 -87.07 -18.96 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 71.16 32.49 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.1 53.41 33.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 107.42 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -50.43 148.65 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 8.1 m-85 -101.35 -179.63 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -98.16 20.23 12.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.01 178.14 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' CD ' ' ND1' ' A' ' 58' ' ' HIS . 2.2 mmmp? -86.75 -47.09 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.549 ' CE2' ' HD2' ' A' ' 77' ' ' LYS . 23.4 p90 -64.32 -24.23 67.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.549 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 14.1 mmmm -67.73 -40.3 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 13.3 tp -82.9 -49.89 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 73.1 t -48.76 -37.73 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -69.87 -36.55 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.29 -43.53 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 3.0 mt -54.03 -23.96 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -64.53 -25.01 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.5 m -77.23 -21.98 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.771 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.74 -20.39 60.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.71 -165.7 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.5 t -92.95 136.01 25.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.47 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.27 2.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.1 t80 -103.25 127.0 30.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.75 -52.93 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.36 -3.16 11.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 14.7 t -99.48 -54.39 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.97 28.46 53.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 9.2 tptm -95.4 148.95 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 1.7 mt -131.94 139.41 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CZ ' ' CG ' ' A' ' 111' ' ' HIS . 2.8 m-85 -124.53 149.6 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.43 -14.09 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -110.01 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -62.87 -43.11 99.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.52 -25.0 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.68 -46.46 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.469 HD13 ' CD ' ' A' ' 112' ' ' LYS . 7.1 tp -60.0 -53.32 59.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 13.6 ptmt -53.84 -50.08 67.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 65.0 mt -64.65 -27.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.578 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 22.0 t60 -81.87 -22.37 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.47 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 16.9 mtpt -84.35 -32.35 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.426 ' CD2' ' C ' ' A' ' 133' ' ' ALA . 90.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 137.04 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.3 t -51.27 114.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.29 -3.89 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.778 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -75.04 120.62 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -63.95 150.87 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.48 15.78 57.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.48 137.5 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 1.9 p30 -116.15 105.99 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 12.2 mmt180 -153.44 -175.17 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -156.89 151.73 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 28.2 m-85 -150.11 163.99 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' C ' ' CD2' ' A' ' 121' ' ' PHE . . . -117.13 -15.61 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.43 129.42 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -41.9 -35.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -55.73 -46.59 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.47 -46.05 77.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.467 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 10.9 ttp85 -60.1 -32.24 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.39 -22.19 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 37.7 mtpt -80.33 -20.99 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 52.4 t60 -85.02 -2.71 58.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.1 mmt -87.94 -21.32 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.94 -20.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.79 -16.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.778 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 21.6 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.769 0.318 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -85.16 133.18 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -105.47 167.23 9.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -153.31 141.97 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -128.38 95.9 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 98.81 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.533 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 13.0 t-105 -107.17 123.53 48.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -123.86 101.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.69 136.38 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.38 -28.21 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.84 22.3 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' CD ' ' HD2' ' A' ' 28' ' ' LYS . 6.7 pt20 -81.6 136.03 35.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -89.98 -2.38 58.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 130.64 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 6.0 tpt180 -136.46 133.02 19.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.72 166.35 74.17 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.334 -0.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HD2' ' CD ' ' A' ' 23' ' ' GLN . 3.2 mmmm -50.88 134.58 25.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -112.43 163.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.46 147.24 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -53.06 111.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -90.4 97.29 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -149.92 162.86 39.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -146.75 151.0 36.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -145.78 167.7 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -111.0 -28.28 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -118.36 146.7 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 tpp -63.08 -40.34 97.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -48.32 -40.53 25.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.8 tp -58.34 -25.65 62.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.09 -59.1 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.47 -28.94 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -82.44 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.496 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 85.3 t -54.1 -21.61 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.0 m -93.13 -56.38 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.4 mtt -88.2 -49.81 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.7 mm-40 -70.44 3.12 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.67 -71.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 2.5 t -70.51 -11.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 59.04 158.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.57 -167.68 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.53 28.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.01 -26.68 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASN . 25.3 mt-30 -79.95 93.48 5.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLN . 20.4 m-80 -35.85 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -84.1 96.44 8.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -95.2 115.02 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 t -138.0 131.88 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -93.92 119.8 33.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -104.53 97.38 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.631 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.9 t-105 -90.84 145.87 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -47.34 -19.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -157.81 32.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 3.3 t -47.22 134.34 9.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.48 34.55 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -85.82 -18.17 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 66.85 38.74 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.87 47.47 91.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -100.4 99.89 10.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -35.46 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 46.8 m-85 -95.67 170.42 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -26.51 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.13 172.71 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 3.8 tmtt? -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.48 ' CD1' ' HG2' ' A' ' 77' ' ' LYS . 5.6 p90 -60.39 -28.74 68.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 19.8 mmmt -66.42 -40.4 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 11.0 tp -66.56 -37.98 86.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.64 -44.86 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -64.5 -24.33 67.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 3.5 t60 -68.83 -50.39 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.496 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.5 mt -52.37 -20.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -59.73 -22.76 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.6 m -86.11 -19.1 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.631 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.5 m-70 -74.86 -12.75 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.493 ' CD1' HD21 ' A' ' 108' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.454 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.6 Cg_endo -69.73 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.9 t -94.46 135.97 23.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.23 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -97.78 132.21 25.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 52.8 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.42 45.08 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 20.7 t -134.36 -46.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.38 28.4 20.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 24.3 tptt -96.44 151.54 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 4.4 mt -140.15 139.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -124.71 160.02 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.22 -12.77 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -110.11 134.72 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.437 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 61.3 mm-40 -62.96 -29.03 70.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.0 -54.35 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.493 HD21 ' CD1' ' A' ' 91' ' ' PHE . 5.2 tp -57.57 -47.84 80.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 1.7 ptmm? -62.27 -46.92 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.487 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 47.9 mt -69.71 -27.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.547 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.2 t60 -82.04 -26.05 34.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -74.6 -28.02 60.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 7.7 ptp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.516 ' CE1' ' OG ' ' A' ' 135' ' ' SER . 97.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 123' ' ' CYS . 13.9 ttmm -122.94 128.79 50.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 122' ' ' LYS . 17.8 t -36.84 124.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.54 -4.93 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.416 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -74.39 122.74 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.93 137.26 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.1 79.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -120.93 142.16 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -122.48 109.16 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -145.39 -176.54 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -153.99 121.52 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -128.19 157.5 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.92 -21.29 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.79 130.31 37.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.516 ' OG ' ' CE1' ' A' ' 121' ' ' PHE . 3.4 m -43.83 -41.85 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -47.98 -55.37 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.7 -52.16 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -45.16 -43.48 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -38.52 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 0.5 OUTLIER -65.35 -19.2 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 42.0 t60 -84.82 -2.26 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.93 -21.77 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.88 -20.4 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -12.29 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.8 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.94 123.45 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mt -97.07 163.97 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 m -146.87 131.07 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.64 116.93 28.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -99.46 98.63 9.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.5 t-105 -107.32 125.9 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -124.02 102.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 51.0 t0 -85.73 114.85 23.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.25 -27.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -109.16 42.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -50.58 175.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -108.36 -17.65 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -130.71 156.78 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -132.64 156.59 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.356 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 27' ' ' PRO . 29.8 mtpt -33.96 107.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.86 157.73 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -84.2 150.74 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.0 137.24 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.06 102.56 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.5 ttt85 -170.46 161.82 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.533 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -149.48 166.77 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 34' ' ' THR . 44.5 m-85 -151.94 170.74 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 p -117.15 -26.34 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -112.21 161.17 16.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.417 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 6.8 tpt -65.29 -55.82 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -48.67 -36.75 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -58.32 -41.98 85.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.5 tp -70.15 -57.15 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.74 -55.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -54.39 -25.75 26.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.7 t60 -83.27 -62.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 31.3 t -54.48 -21.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLY . 21.6 m -93.4 -54.04 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 49' ' ' HIS . 4.5 mtt -88.28 -51.28 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 mt-10 -70.81 4.29 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -142.31 -74.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 63.3 t -69.05 -4.18 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 71.58 -163.87 54.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.38 -169.3 30.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -80.1 -28.63 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -64.69 150.57 46.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.3 t-20 -94.02 -74.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -80.48 119.55 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 1.7 m80 -109.44 112.62 24.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 t -136.9 128.31 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -103.86 116.12 31.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -101.33 97.36 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.7 t-105 -90.68 145.54 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 83.8 tt0 -46.73 -19.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' TRP . 55.4 mt-10 -158.07 33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 2.9 t -49.06 134.79 15.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -24.75 29.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.456 ' NE ' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 9.4 mt-10 76.42 32.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.82 38.53 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -99.55 98.75 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 p -48.69 157.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -102.49 -175.65 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -109.46 17.34 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.553 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . . . -178.21 160.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.57 -52.03 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.6 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 54.3 p90 -54.84 -32.68 60.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.6 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 11.9 mmmm -62.28 -40.39 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' CD2' ' CB ' ' A' ' 58' ' ' HIS . 11.3 tp -77.43 -50.8 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.0 t -50.07 -38.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 53.6 m-20 -72.69 -33.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -59.49 -44.3 93.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.2 mt -55.13 -20.55 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 20.6 mmm180 -59.66 -35.0 73.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 m -71.75 -22.12 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -74.83 -22.41 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.417 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 67.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.439 ' O ' ' CD2' ' A' ' 108' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.642 0.734 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -165.42 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -93.69 134.97 25.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HG3' ' NZ ' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 -16.5 37.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.05 125.89 91.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 128.06 15.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 84.87 -5.99 80.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 34.5 t -79.9 -32.44 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.4 29.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 9.5 tptm -97.57 138.63 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.3 mt -133.37 156.6 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.5 m-85 -140.5 131.63 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -15.72 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -110.05 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -56.41 -52.34 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.52 -44.95 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -46.86 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 102' ' ' PHE . 1.2 tp -66.34 -51.42 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -54.53 -50.15 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.54 -39.6 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.3 t60 -74.88 -20.52 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.459 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.4 mtpp -82.24 -31.81 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 113' ' ' ARG . 3.5 ptm85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 84.9 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -119.53 129.47 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.7 t -39.04 118.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.53 -7.28 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.706 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.5 t80 -72.26 122.3 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.62 151.07 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.11 9.08 39.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.62 144.96 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.416 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -122.5 106.36 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.416 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 30.1 mmt180 -150.15 -175.62 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.2 139.92 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -146.12 148.78 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -98.04 -14.54 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.57 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -137.59 146.88 44.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 21.3 t -61.34 -26.11 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.2 t -66.0 -46.14 79.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.36 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -58.59 -53.27 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -57.4 -22.57 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -79.03 -21.24 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 46.0 t60 -86.76 -1.02 57.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.9 -20.51 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -56.09 -20.11 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.41 -15.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.706 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.4 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.729 0.3 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.33 134.83 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 mt -106.72 167.9 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -135.6 152.25 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 t -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -97.62 98.96 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.673 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 17.6 t-105 -107.26 124.92 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mt -124.0 101.04 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -78.28 135.47 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -72.91 -36.79 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.45 35.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -78.87 136.56 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 2.8 tt -81.57 0.12 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -98.9 132.47 44.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.4 tpp85 -139.84 140.43 24.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 164.02 80.31 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.325 -0.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -46.43 133.57 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.07 168.88 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 p -112.91 134.07 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -44.82 137.71 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -107.95 105.12 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -161.27 156.22 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 p -146.68 159.69 43.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -149.37 169.78 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -92.23 -47.15 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -113.26 163.06 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.441 ' SD ' ' CG2' ' A' ' 86' ' ' THR . 16.4 tpp -59.76 -53.86 53.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.98 -41.5 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.43 -46.61 89.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 45' ' ' VAL . 20.0 tp -63.02 -49.75 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.55 -53.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.1 m -50.84 -29.6 12.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 48' ' ' GLU . 34.5 t60 -82.31 -62.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 41' ' ' LEU . 17.7 t -53.8 -21.98 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.7 m -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' HIS . 6.3 mtt -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.8 mm-40 -70.64 3.02 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -141.82 -73.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.4 t -69.69 -2.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.44 175.22 17.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.44 31.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.533 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.32 6.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -115.66 56.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -123.98 131.1 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -51.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -113.32 131.44 55.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' CB ' HD22 ' A' ' 78' ' ' LEU . 9.7 m80 -103.67 107.1 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.3 127.16 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.55 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -101.71 118.0 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -102.61 97.2 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.594 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.57 145.55 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -44.08 -21.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 62' ' ' TRP . 43.5 mt-10 -158.66 33.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.9 t -45.33 134.03 5.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.31 36.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -89.95 -11.88 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 65.0 40.67 5.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.91 60.4 9.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 128.82 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.7 p -58.01 177.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -126.39 179.27 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -77.67 -23.36 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.92 173.88 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -69.55 -57.19 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.431 ' CE1' ' HD3' ' A' ' 77' ' ' LYS . 20.4 p90 -55.32 -17.41 4.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HD3' ' CE1' ' A' ' 76' ' ' TYR . 1.1 mmmp? -72.15 -39.28 68.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' A' ' 58' ' ' HIS . 5.0 tp -78.52 -40.9 33.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.53 -46.53 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -60.9 -37.98 84.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -58.14 -48.89 78.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 3.9 mt -52.64 -25.55 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -63.25 -28.08 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.22 -20.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.594 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.35 -9.29 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.441 ' CG2' ' SD ' ' A' ' 38' ' ' MET . 2.5 p . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.82 135.91 22.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -95.43 132.92 26.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.78 -53.91 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 41.97 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 17.4 t -134.66 -55.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 28.07 56.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 31.4 tptt -94.35 148.96 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 1.9 mt -134.54 146.29 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -130.52 125.77 35.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.82 -15.38 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 106' ' ' GLU . 5.0 ttt180 -109.93 131.07 55.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.0 p -55.05 -60.59 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 104' ' ' ARG . 10.2 mm-40 -47.87 -39.82 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 102' ' ' PHE . 3.7 tp -75.1 -49.17 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -64.01 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.4 mt -76.5 -30.64 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 12.0 t60 -79.02 -54.79 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -47.35 -30.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 86.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.922 0.391 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -109.45 137.85 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 51.7 t -40.63 118.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.33 -9.27 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.16 126.83 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -66.2 156.06 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.15 6.45 13.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.31 143.03 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.59 107.06 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -146.85 170.21 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 137.42 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' PHE . 20.4 m-85 -147.83 159.75 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -112.16 -21.27 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 134' ' ' ASN . 0.1 OUTLIER -129.47 134.12 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.7 t -48.98 -31.97 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.6 m -58.97 -40.5 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -72.95 -40.56 65.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -64.06 -45.16 89.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -22.0 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -77.78 -18.94 55.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -86.42 0.04 54.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.95 -20.53 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -56.23 -20.16 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.95 -12.47 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.665 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.52 127.81 34.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 11.3 mt -95.97 163.41 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -144.67 140.62 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 101.86 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 98.99 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 17.2 t-105 -107.16 123.96 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -123.91 100.28 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 23' ' ' GLN . 4.0 t0 -71.94 136.88 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 2.5 mt-10 -74.97 -33.38 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.25 39.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.453 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 10.6 pt20 -76.77 147.15 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -91.8 4.74 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.49 132.79 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 1.2 tmm_? -134.95 137.35 27.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 173.64 43.65 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 36.9 mmtt -54.9 118.36 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -105.56 161.01 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -109.06 145.73 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.55 120.9 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -92.03 100.45 13.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HG3' ' CE1' ' A' ' 44' ' ' HIS . 11.0 mmp_? -143.14 164.25 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -153.54 148.26 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 68.0 m-85 -144.76 156.53 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -96.95 -24.12 15.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.3 p -123.23 156.24 35.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.404 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 22.7 tpp -61.37 -55.97 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -44.81 -44.0 9.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 8.0 mm-40 -54.92 -48.23 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 25.4 tp -61.81 -52.09 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -54.04 -52.89 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -27.75 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.4 t60 -83.07 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.425 HG12 ' CG2' ' A' ' 82' ' ' ILE . 15.6 t -54.16 -21.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.6 m -92.98 -56.61 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.405 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.3 mtt -87.77 -49.84 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.9 mm-40 -70.76 3.88 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.748 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.3 m-70 -143.06 -73.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.6 t -69.65 -2.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 63.92 -159.83 39.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.99 -162.47 24.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.21 34.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.61 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.529 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.89 149.51 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -94.66 -70.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.458 ' ND2' HG23 ' A' ' 59' ' ' VAL . 50.5 t30 -83.7 114.83 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' CB ' HD21 ' A' ' 78' ' ' LEU . 26.2 m80 -107.3 106.42 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.458 HG23 ' ND2' ' A' ' 57' ' ' ASN . 42.1 t -134.14 133.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.94 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 37.4 m-85 -100.9 97.34 7.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.709 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.48 145.46 24.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.32 -22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' TRP . 21.2 pt-20 -159.63 32.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.486 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.8 t -42.81 134.03 2.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -14.95 36.66 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 5.7 mmp_? -90.31 -33.85 15.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 74.02 40.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' SER . . . 87.14 -23.21 11.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLY . 4.8 tmtm? -38.05 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLY . 37.2 t -59.59 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.7 m-85 -136.04 13.87 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm 44.69 24.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . . . -152.29 168.03 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -92.71 -58.69 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.646 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 39.5 p90 -59.95 -12.33 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.646 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.9 mmmt -83.87 -40.98 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 58' ' ' HIS . 10.0 tp -82.16 -39.98 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.07 -45.61 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -27.44 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.67 -48.07 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.425 ' CG2' HG12 ' A' ' 45' ' ' VAL . 2.5 mt -51.93 -23.08 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -57.07 -32.02 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 m -74.56 -23.75 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.709 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -70.86 -13.46 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.08 135.23 30.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -21.17 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.96 127.79 93.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.42 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.62 -5.16 85.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 37.3 t -80.06 -32.24 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 37.67 27.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 20.1 tptt -94.67 141.27 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 mt -134.94 152.56 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.2 m-85 -138.06 121.71 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.56 -11.59 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -110.09 131.09 55.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -63.29 -36.84 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -71.3 -28.05 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.48 -39.96 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.99 -52.77 54.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 10.8 ptmt -59.33 -45.29 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 69.8 mt -66.98 -25.62 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 4.5 t60 -79.91 -55.84 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -44.95 -36.9 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 123' ' ' CYS . 24.2 ttpt -112.99 136.01 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' LYS . 41.3 t -35.36 111.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.29 -8.62 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.485 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -72.17 130.57 41.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.59 4.78 81.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.0 t -109.33 144.09 37.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -123.32 108.02 12.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -147.66 -179.39 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -147.43 133.9 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.03 160.26 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.36 -9.24 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.02 132.59 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 t -49.01 -32.04 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -60.47 -54.6 43.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.8 -42.39 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -62.29 -49.79 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.45 -23.04 66.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 5.8 mtpm? -78.58 -18.68 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.6 t60 -85.53 -2.28 57.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.75 -22.0 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.88 -20.92 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.6 -14.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.485 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.2 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -90.61 127.38 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -101.97 166.41 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -134.16 138.38 45.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.91 97.51 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -89.17 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.17 126.3 52.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.482 ' CD1' ' CD ' ' A' ' 63' ' ' GLU . 1.8 mt -123.57 103.79 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.85 128.82 34.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.49 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 5.4 mt-10 -65.69 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.46 26.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.59 129.56 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.01 -6.13 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -80.49 132.22 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 10.8 tpt85 -138.08 132.63 17.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 176.52 32.27 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.352 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.5 118.3 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -109.83 146.37 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 p -90.26 144.7 25.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 150.44 22.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.55 135.64 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -172.83 161.18 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.5 p -137.32 151.0 48.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -148.59 158.71 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -87.55 -38.47 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -124.76 164.35 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.475 ' SD ' ' CG2' ' A' ' 86' ' ' THR . 20.9 tpp -59.51 -54.43 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -55.63 -43.37 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' A' ' 45' ' ' VAL . 10.8 tp -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.79 -51.81 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.4 m -50.04 -29.08 8.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' GLU . 34.8 t60 -82.77 -62.79 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.517 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 17.0 t -53.9 -21.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 10.2 m -93.11 -56.87 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.404 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.6 mtt -86.94 -50.07 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 44' ' ' HIS . 51.3 mm-40 -70.87 3.4 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.596 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.1 m-70 -142.03 -73.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.3 t -70.09 -2.7 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.63 -169.12 45.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.25 -162.27 34.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.46 30.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.01 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -41.66 121.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.57 -75.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.09 106.32 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -105.79 123.08 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.03 138.23 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.85 116.02 29.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.49 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 36.8 m-85 -102.08 97.09 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.748 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.45 145.46 24.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CD ' ' CD1' ' A' ' 19' ' ' ILE . 6.1 tp10 -43.62 -21.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.6 mm-40 -159.55 34.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.2 t -45.65 133.87 6.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -20.02 35.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -89.8 -14.2 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 69.58 33.91 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.32 18.53 73.42 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 123.85 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -62.17 173.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.89 -175.62 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.81 -6.69 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.49 167.82 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 15.3 tppt? -70.32 -58.36 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -54.61 -22.68 14.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 77' ' ' LYS . 1.8 mmpt? -66.61 -40.06 88.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 58' ' ' HIS . 8.3 tp -78.13 -46.37 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.88 -40.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.07 -31.34 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.34 -48.71 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.517 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.1 mt -55.56 -21.87 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -63.32 -22.1 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 m -85.33 -20.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.748 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 3.3 m-70 -69.95 -12.31 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.475 ' CG2' ' SD ' ' A' ' 38' ' ' MET . 16.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.478 ' O ' ' CD2' ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' O ' ' CD2' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.75 -168.64 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.98 135.35 30.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.15 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.2 t80 -69.16 133.6 89.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.578 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.64 40.97 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.1 t -136.01 -52.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 50.15 28.47 13.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 7.5 tptm -91.78 151.28 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.46 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 3.0 mt -139.82 156.15 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -138.88 153.37 48.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.81 -11.96 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -111.06 138.05 47.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -70.18 -36.33 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 3.7 tt0 -71.2 -24.16 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.61 -40.78 66.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 91' ' ' PHE . 3.4 tp -70.13 -52.18 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -54.5 -35.67 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 106' ' ' GLU . 96.7 mt -81.48 -28.81 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 7.4 t60 -81.86 -23.08 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.95 -29.02 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 94.3 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.858 0.361 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -113.05 137.67 51.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.97 118.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.47 -2.64 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.406 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.14 130.7 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.8 139.11 48.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 75.04 17.75 80.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.86 144.74 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.81 106.03 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -151.23 174.0 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 142.77 22.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -148.41 163.62 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -111.7 -21.92 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.491 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -126.67 132.56 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.427 ' HA ' ' CD1' ' A' ' 121' ' ' PHE . 1.1 t -43.98 -52.62 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -40.13 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -54.69 -47.25 73.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -67.41 -18.88 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -83.86 -18.46 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.7 t60 -86.69 0.28 54.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -88.03 -21.19 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -55.17 -21.16 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.28 -12.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.406 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.74 0.305 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.57 129.37 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.44 157.01 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -125.02 142.77 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.24 100.24 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 2.8 mmmm -93.86 98.69 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.733 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.2 t-105 -107.04 123.2 47.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.401 ' CD1' ' HG3' ' A' ' 63' ' ' GLU . 3.8 mt -119.24 112.68 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 17.4 t70 -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.92 -28.63 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.39 24.44 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' OE1' ' CD ' ' A' ' 28' ' ' LYS . 1.9 pt20 -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.59 12.47 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.98 121.05 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.3 mmt-85 -123.95 148.33 56.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.84 147.37 84.67 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.337 0.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 23' ' ' GLN . 32.8 mttp -33.26 107.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.03 -177.97 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -113.55 148.92 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.32 160.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -118.1 117.88 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 20.5 tpt85 -173.84 154.56 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -140.76 156.44 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -150.45 154.41 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -96.71 -31.24 12.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -117.26 163.13 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.2 tpp -63.95 -56.05 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -43.98 -46.86 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.09 -44.16 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.57 -49.06 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.33 -52.71 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 m -50.11 -25.72 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.3 t60 -83.21 -62.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 20.9 t -54.27 -21.85 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.7 m -93.02 -56.18 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.405 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.3 mtt -88.18 -49.81 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' HIS . 41.4 mm-40 -70.74 3.92 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.733 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.16 -74.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.2 t -69.24 -3.1 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.29 -161.78 50.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.491 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.21 -158.28 34.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -51.09 -24.34 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.97 103.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.43 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.57 98.77 8.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 108.66 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.625 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 14.0 t -135.83 141.27 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.53 113.73 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.625 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 5.0 m-85 -112.31 97.53 6.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.8 t-105 -91.0 146.47 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' TRP . 82.8 tt0 -37.7 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.6 pp20? -148.32 48.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.55 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 53.0 t -84.11 136.02 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -24.67 29.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 19.9 mmm180 -67.09 -34.15 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 53.38 21.95 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 114.48 -23.58 12.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -49.1 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -59.19 -175.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 55.4 m-85 -119.06 164.09 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.59 -11.06 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.16 171.89 16.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -53.72 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.558 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 30.8 p90 -54.5 -30.67 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.558 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 11.9 mmmm -64.6 -40.96 96.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 8.3 tp -77.71 -54.97 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.0 t -44.2 -47.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.49 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 67' ' ' ARG . 3.9 t60 -61.75 -33.6 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.53 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 4.5 mt -63.42 -31.21 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -60.35 -15.7 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 81' ' ' HIS . 3.2 m -82.57 -11.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -96.24 -12.04 25.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -179.881 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.563 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.647 0.736 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.74 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -90.76 133.81 31.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.41 4.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -94.85 127.84 41.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.5 13.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.46 -4.78 85.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 100' ' ' LYS . 19.9 t -81.85 -27.26 33.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.5 28.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 21.7 tptt -98.26 146.82 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -141.8 148.46 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -131.25 123.81 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.38 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -110.03 131.35 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 -39.9 96.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -64.19 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.46 -36.97 79.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.3 tp -66.69 -50.97 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -55.76 -49.68 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 78.9 mt -64.39 -25.84 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.52 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 73.3 t60 -81.91 -31.35 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.6 -36.35 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 8.0 ptp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -122.93 130.36 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.2 t -41.13 127.25 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.66 -7.18 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.4 t80 -71.11 121.32 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 140.54 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.41 22.21 74.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.555 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 12.3 t -119.86 138.19 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.421 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 17.0 t70 -117.14 105.99 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 16.1 mmm180 -151.76 175.15 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -143.7 138.36 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -138.25 153.53 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.22 -7.75 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER -138.28 130.46 28.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.3 p -51.94 -23.09 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.6 m -74.61 -45.11 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 10.4 m-20 -63.84 -40.51 96.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -58.59 -57.9 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.45 -19.39 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.586 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.9 mttp -81.47 -19.39 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.9 t60 -84.74 -1.88 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.8 -22.51 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.84 -21.33 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.91 -14.73 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.596 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.06 133.83 34.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 37' ' ' THR . 10.4 mt -99.3 163.39 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -132.47 147.51 52.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.0 t -143.53 105.36 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -100.14 98.76 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.4 t-105 -107.15 123.9 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mt -122.93 111.77 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -88.71 138.12 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.56 -27.16 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.97 14.92 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -80.32 154.98 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.87 -3.69 18.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.49 129.28 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.1 tpt180 -138.03 139.94 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.74 139.21 53.22 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' PRO . 17.9 mttm -34.43 131.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 27' ' ' PRO . 5.2 mmmt -114.25 176.48 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -111.8 147.79 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.86 131.77 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -95.17 109.65 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.7 ttt85 -176.72 164.07 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 1.1 p -152.78 168.33 26.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 34' ' ' THR . 45.2 m-85 -152.83 170.07 21.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -117.62 -17.85 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 16.2 p -120.42 159.19 25.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.449 ' CE ' HD23 ' A' ' 41' ' ' LEU . 8.7 tpt -63.84 -56.01 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -45.49 -36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 5.7 mm-40 -60.48 -47.32 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 HD23 ' CE ' ' A' ' 38' ' ' MET . 45.1 tp -63.29 -56.56 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.2 t -54.86 -52.59 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -55.98 -26.73 49.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.0 t60 -83.03 -62.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 82' ' ' ILE . 60.8 t -54.52 -21.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.1 m -93.0 -56.26 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.412 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.1 mtt -88.12 -49.88 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 44' ' ' HIS . 7.9 mm-40 -70.82 4.08 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.17 -73.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.6 t -69.84 -2.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.48 -164.06 48.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.536 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.11 -158.83 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 53.2 Cg_endo -69.81 -19.94 35.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 55' ' ' GLN . 3.7 tp10 -64.11 -62.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -36.23 119.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -75.28 -73.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -79.98 95.38 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.71 128.89 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 9.6 t -141.94 136.87 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.23 115.17 28.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.0 m-85 -112.42 97.52 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.4 t-105 -90.88 146.78 23.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' TRP . 15.3 tt0 -36.69 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' TRP . 51.4 mm-40 -147.15 48.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.556 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 48.5 t -86.89 136.04 34.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -25.63 28.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.539 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 24.6 mmm180 -66.49 -20.06 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER 34.43 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.524 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 98.64 30.76 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' ARG . 11.3 mmmt -98.52 95.73 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -62.64 163.36 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.51 161.13 15.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 5.2 ttpm? -78.75 5.83 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . . . -163.82 158.73 20.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.11 -60.29 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 55.3 p90 -50.97 -19.72 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -79.0 -40.88 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.06 -36.56 40.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.409 HG13 ' NH1' ' A' ' 83' ' ' ARG . 70.3 t -60.4 -58.21 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 76' ' ' TYR . 80.9 m-20 -53.36 -27.6 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 67' ' ' ARG . 2.8 t60 -67.78 -36.9 81.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CG2' HG13 ' A' ' 45' ' ' VAL . 6.9 mt -61.61 -26.26 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 83' ' ' ARG . 2.0 mpt_? -49.7 -39.78 38.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.49 -24.17 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.7 1.27 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -90.23 135.7 29.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.429 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 1.48 4.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.8 t80 -95.67 132.7 26.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.94 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 42.61 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 33.9 t -132.57 -59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.91 27.15 70.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.531 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 6.7 tptm -94.38 151.02 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 4.6 mt -140.44 154.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -136.99 134.79 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.45 0.01 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -125.28 131.11 53.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.1 p -61.63 -47.09 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -29.9 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.58 -51.17 61.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 91' ' ' PHE . 50.6 tp -54.72 -53.98 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.17 -48.49 64.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.21 -25.22 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.403 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 42.6 t60 -79.98 -43.79 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 5.9 mtpm? -57.03 -31.29 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -115.97 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.7 t -39.5 110.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.45 -11.33 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 145' ' ' HIS . 4.5 t80 -72.0 122.17 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 152.93 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.76 8.87 42.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.65 143.58 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -124.58 107.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -144.39 -177.31 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -149.94 126.71 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -136.72 160.82 37.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.91 -10.8 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.85 135.84 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -50.91 -27.86 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 m -66.4 -55.58 15.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.34 -42.42 77.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.85 -47.94 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -65.19 -17.75 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.12 -20.36 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 45.3 t60 -89.0 -2.4 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.96 -20.99 25.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -56.11 -20.19 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.17 -16.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 125' ' ' PHE . 21.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' CD ' ' N ' ' A' ' 14' ' ' LEU . 1.6 tp10 -82.62 131.49 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 13' ' ' GLU . 3.1 mt -125.27 159.31 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 p -134.08 127.83 32.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -100.3 91.93 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -81.71 98.71 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.663 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.9 t-105 -107.03 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mt -120.79 100.27 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.27 128.88 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 6.9 mt-10 -69.61 -29.82 67.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.21 33.3 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.39 122.78 25.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 2.0 tt -75.38 3.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.17 130.43 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 19.8 mmm-85 -133.98 155.87 79.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.8 155.12 93.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.383 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -48.75 110.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.17 136.09 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.29 122.26 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -97.24 125.74 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -177.75 161.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.5 p -137.26 159.4 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 m-85 -143.66 147.15 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -82.77 -22.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.1 171.66 13.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.449 ' SD ' ' CG2' ' A' ' 86' ' ' THR . 17.1 tpp -69.74 -55.91 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -46.87 -37.18 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.57 -34.98 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 10.1 tp -77.95 -51.1 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -51.77 -55.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -46.99 -30.85 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 39.0 t60 -80.28 -62.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 82' ' ' ILE . 13.0 t -54.23 -21.76 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -93.12 -56.59 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.401 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.8 mtt -87.73 -49.88 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 47.6 mm-40 -70.76 3.79 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.663 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.78 -73.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.8 t -70.08 -2.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 51.89 176.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -161.09 7.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.83 34.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.41 -15.4 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.538 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -86.92 106.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -55.87 -73.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.75 106.96 18.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 2.7 p-80 -107.42 121.88 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.45 136.54 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.558 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -105.1 117.53 34.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CD1' ' HG3' ' A' ' 21' ' ' GLU . 49.0 m-85 -103.56 97.22 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.5 t-105 -90.32 145.29 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -44.71 -21.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 5.1 tt0 -158.44 33.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 3.4 t -46.95 134.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -18.95 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.98 -13.45 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 63.03 37.49 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.9 64.18 4.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -112.04 136.09 51.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 p -61.66 168.62 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE1' HD13 ' A' ' 78' ' ' LEU . 31.3 m-85 -122.12 -179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.18 -6.56 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.85 176.87 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -76.41 -58.41 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -52.34 -19.71 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -72.41 -38.72 68.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 18.9 tp -82.04 -44.26 16.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.46 -41.87 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -67.81 -35.41 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -58.95 -52.43 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG2' HG11 ' A' ' 45' ' ' VAL . 3.2 mt -51.07 -18.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -66.19 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 85' ' ' HIS . 4.4 m -72.13 -21.97 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.551 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -69.14 -11.25 60.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.449 ' CG2' ' SD ' ' A' ' 38' ' ' MET . 7.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -168.75 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -91.62 135.88 27.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.47 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.1 t80 -94.1 133.51 27.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.78 -53.84 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.88 37.41 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.6 t -134.63 -66.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.89 70.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 8.5 tptm -89.77 148.53 23.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.09 150.44 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 5.6 m-85 -134.15 139.22 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.66 -18.34 59.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -110.88 131.5 55.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -61.08 -46.22 91.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.13 -33.23 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.44 -32.04 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HG ' ' CD ' ' A' ' 112' ' ' LYS . 2.1 tp -73.05 -51.36 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -56.56 -48.3 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 96.9 mt -64.38 -35.39 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.554 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 21.1 t60 -79.06 -21.66 46.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 13.8 mtpt -77.65 -29.36 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 12.2 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.5 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -116.13 133.84 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' LYS . 38.7 t -36.05 125.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.65 -5.81 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.611 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -72.68 122.56 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 6.0 tp10 -65.07 134.06 52.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 84.08 12.08 77.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 t -118.37 144.95 45.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.73 108.09 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -146.16 179.95 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -151.01 137.68 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 121' ' ' PHE . 14.2 m-85 -153.16 160.17 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.24 -7.54 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.424 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.2 OUTLIER -139.92 142.96 36.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 t -57.53 -35.86 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -55.9 -40.71 73.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.0 -47.58 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -60.24 -34.99 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -76.15 -24.79 54.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -74.83 -19.35 60.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -89.07 -1.1 57.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -87.93 -20.9 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -55.26 -21.07 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.39 -13.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.611 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -92.69 129.44 38.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 41' ' ' LEU . 11.5 mt -97.29 167.62 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -146.83 130.42 16.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 101.98 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -88.22 98.78 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.683 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.6 t-105 -107.08 117.15 33.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.65 100.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 21' ' ' GLU . 4.4 t0 -71.29 135.77 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 1.9 pt-20 -77.06 -41.31 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.33 18.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.77 138.85 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.08 5.45 51.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.6 128.0 35.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -129.75 131.86 23.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.72 173.13 45.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -60.68 118.34 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -105.67 151.85 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -100.09 163.08 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -61.7 154.87 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t0 -121.81 112.43 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -169.39 161.21 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -147.35 158.14 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 56.4 m-85 -151.69 170.08 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -112.56 -22.87 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -125.32 154.37 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.438 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 17.6 tpp -57.62 -55.9 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -43.35 -43.19 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 39.7 mm-40 -59.26 -44.74 92.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.434 HD13 ' CG2' ' A' ' 45' ' ' VAL . 17.4 tp -65.93 -53.24 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.3 -58.68 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -48.63 -30.81 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' GLU . 25.5 t60 -79.4 -62.7 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.438 ' CG1' HG22 ' A' ' 82' ' ' ILE . 35.5 t -54.89 -21.07 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' GLY . 11.2 m -93.57 -54.22 3.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.407 ' C ' ' H ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -88.46 -51.11 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.6 mt-10 -70.61 3.77 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 8.7 m-70 -141.65 -73.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 56.0 t -71.02 -3.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 74.86 -179.13 45.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.5 -161.79 36.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -104.93 45.02 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -137.94 137.9 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -89.04 -75.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.75 98.55 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.424 ' CD2' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -107.16 126.44 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.0 137.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.539 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -106.95 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m-85 -102.73 97.19 7.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.522 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.53 145.58 24.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -44.13 -21.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 62' ' ' TRP . 2.4 mt-10 -158.68 33.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.1 t -45.4 134.37 5.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -26.32 27.66 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -85.9 -22.99 27.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 70.01 28.35 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.64 62.65 3.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.82 103.4 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 p -39.2 147.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 70.1 m-85 -103.65 -176.2 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -98.81 -11.51 21.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . . . -158.51 172.28 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -58.17 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.484 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 31.8 p90 -54.94 -18.02 4.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.484 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 12.0 mmmm -74.53 -38.29 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 13.3 tp -83.98 -42.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.0 -46.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.9 OUTLIER -56.72 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.418 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 3.1 t60 -62.43 -47.43 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' CG1' ' A' ' 45' ' ' VAL . 3.4 mt -54.58 -17.12 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mmm-85 -69.94 -32.57 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 85' ' ' HIS . 4.0 m -72.03 -20.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.522 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.1 m-70 -70.96 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.438 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 19.9 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.73 -171.28 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.264 . . . . 0.0 112.365 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -89.92 136.08 29.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.4 t80 -94.76 133.93 25.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.07 46.81 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.4 t -136.79 -48.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.14 28.8 19.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 19.7 tptt -95.66 153.61 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.536 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 3.4 mt -143.69 159.8 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -143.51 131.69 21.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.41 -10.39 58.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -110.28 132.56 54.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.7 p -67.96 -35.45 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.8 -20.97 55.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -81.57 -38.86 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.451 HD22 ' CD1' ' A' ' 91' ' ' PHE . 10.7 tp -65.22 -52.66 53.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 5.0 ptpt -55.39 -49.22 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 88.8 mt -55.05 -33.92 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.42 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 6.3 t60 -77.07 -54.14 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.443 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.0 mtpt -46.05 -28.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 5.5 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.958 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.2 ttpp -116.73 127.89 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 122' ' ' LYS . 43.8 t -36.4 117.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -72.84 -5.33 37.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.527 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.0 t80 -72.5 121.95 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.1 153.55 29.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.85 16.84 53.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.63 143.18 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -124.96 105.94 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 3.8 mmm180 -142.61 179.79 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -151.63 125.41 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 9.3 m-85 -132.75 163.61 28.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.86 -15.03 10.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.541 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.4 141.54 39.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t -48.2 -53.94 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.1 m -41.24 -54.82 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.32 -52.52 61.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.496 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 13.3 ttp180 -54.58 -42.82 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -68.94 -26.84 65.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.7 mtpp -75.14 -19.13 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 65.3 t60 -85.42 -1.67 57.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.85 -23.22 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.63 -20.81 8.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.51 -15.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.527 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.747 0.308 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.52 131.58 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 37' ' ' THR . 4.5 mt -104.15 163.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -127.76 140.82 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.19 92.83 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -86.23 98.97 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 20.1 t-105 -107.33 122.5 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 5.4 mt -122.66 99.21 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.2 t70 -74.5 104.04 5.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 4.8 pt-20 -35.71 -36.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -101.24 46.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -54.87 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 24' ' ' LEU . 1.9 tm? -123.91 1.71 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.29 174.03 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 8.1 mmt85 -149.94 132.92 8.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.75 -179.44 19.16 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.316 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' CB ' ' NZ ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -56.93 131.87 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -114.31 144.15 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.51 162.46 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 128.11 34.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 92.73 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -131.88 163.43 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.6 p -149.29 158.69 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 70.1 m-85 -151.01 171.01 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.6 m -107.35 -12.64 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.427 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 72.8 p -138.3 169.6 17.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 tpp -69.89 -55.91 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -48.66 -47.71 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.89 -32.95 22.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' CD1' HG23 ' A' ' 45' ' ' VAL . 18.6 tp -77.93 -47.52 18.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.58 -56.68 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.1 m -47.55 -31.79 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' GLU . 34.7 t60 -80.45 -62.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 82' ' ' ILE . 42.9 t -53.86 -21.98 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.8 m -93.09 -56.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.408 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.3 mtt -87.55 -49.91 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 44' ' ' HIS . 18.7 mm-40 -70.54 3.31 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.46 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.5 t -69.96 -2.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 65.72 -157.77 47.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.29 -165.24 20.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -2.49 10.23 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.83 -23.67 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 109.41 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -50.5 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -83.22 112.51 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' H ' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -100.47 109.71 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.91 138.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.03 113.13 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -98.65 97.16 8.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.57 145.37 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.97 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.3 mm-40 -158.82 33.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.0 t -47.02 134.36 8.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.24 11.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.502 HH21 ' CD2' ' A' ' 81' ' ' HIS . 5.5 mtm105 -101.26 -28.4 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 8.7 mt-10 79.13 26.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.43 56.23 5.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' CE ' ' HA ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -108.38 104.42 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -43.97 159.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -105.67 -175.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -95.88 -1.5 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.28 -174.82 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -81.7 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 35.9 p90 -51.72 -27.89 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 13.9 mmmm -67.64 -31.85 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.1 tp -86.02 -46.78 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.08 -42.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CD2' HH21 ' A' ' 67' ' ' ARG . 2.3 t60 -62.78 -46.29 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.433 ' CG2' HG13 ' A' ' 45' ' ' VAL . 2.9 mt -54.39 -19.5 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.31 -16.03 63.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 m -88.36 -23.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.682 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.42 -5.35 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.923 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -169.12 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.383 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -90.38 136.13 28.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.459 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.72 3.75 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.466 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.7 t80 -107.76 126.46 29.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.71 -52.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.79 -2.74 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -99.26 -50.19 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.87 29.01 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 33.5 tptt -94.46 152.18 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 7.1 mt -135.12 137.95 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.579 ' CZ ' ' CD2' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -121.84 160.06 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.69 -14.3 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -114.94 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.58 -47.52 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.33 -34.31 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -67.53 -45.44 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 102' ' ' PHE . 9.5 tp -65.7 -55.56 16.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.475 ' CB ' ' NZ ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -50.6 -43.55 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 95.1 mt -72.15 -31.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.579 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 27.1 t60 -80.95 -20.96 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.459 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.3 mtpm? -78.82 -36.31 42.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 135' ' ' SER . 40.9 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -122.44 135.25 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.82 114.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.51 -4.59 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.502 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -73.25 125.92 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -68.74 134.55 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.54 11.05 82.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.56 143.85 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 50.5 t0 -122.36 106.07 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.413 ' C ' ' HG2' ' A' ' 131' ' ' ARG . 18.4 mmt180 -146.61 165.17 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -137.13 127.71 26.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.42 152.09 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.34 -24.37 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -125.43 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 80.4 p -51.95 -48.77 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.4 t -40.88 -48.27 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.78 -49.13 78.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.55 -37.1 72.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.77 -22.25 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -80.76 -21.19 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.0 t60 -86.03 -1.22 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.6 mmt -87.86 -21.17 25.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -55.29 -20.78 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.29 -14.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.502 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -93.72 133.84 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -93.78 167.31 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -131.87 128.22 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.17 104.84 10.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -101.69 98.9 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.8 t-105 -107.09 111.34 23.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 28' ' ' LYS . 4.8 mt -114.57 102.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' OD2' ' CB ' ' A' ' 22' ' ' ALA . 28.5 t70 -78.12 114.85 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.31 -24.38 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.477 ' CB ' ' OD2' ' A' ' 20' ' ' ASP . . . -72.53 -2.71 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ASP . 2.0 pt20 -60.53 160.28 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.22 16.94 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -112.33 150.15 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.4 tmm_? -143.43 133.72 12.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.77 167.25 71.74 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.339 0.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 10.8 mmtp -43.85 168.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 141.84 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.1 p -103.42 137.48 41.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.78 -26.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 50.87 59.3 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 6.1 tpm_? -109.56 151.69 26.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 p -137.33 161.15 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.49 ' CZ ' ' HG2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -152.31 170.89 18.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -109.91 -9.31 14.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -144.02 153.97 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 tpp -55.58 -55.98 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -45.09 -46.13 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.18 -36.29 68.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.98 -57.54 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.09 -57.1 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.8 m -50.83 -28.05 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -83.0 -62.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 19.9 t -54.2 -21.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.4 m -93.1 -56.28 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' HIS . 4.9 mtt -88.0 -49.76 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 58.2 mm-40 -70.77 3.54 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -142.73 -73.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.0 t -69.71 -2.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.37 -164.26 44.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.04 -163.48 31.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.55 4.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -86.05 -34.13 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -52.91 135.1 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.94 -71.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -86.14 129.09 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.474 ' N ' HD21 ' A' ' 57' ' ' ASN . 6.8 m170 -105.25 106.31 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.38 134.51 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.453 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.33 114.02 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 1.6 m-85 -100.27 97.06 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.693 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.68 145.14 25.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -43.55 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 16.6 tt0 -157.86 33.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.2 t -45.06 134.01 5.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.687 0.756 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.51 36.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -94.22 -23.12 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 73.94 30.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.21 59.27 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -101.24 118.4 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 p -48.06 154.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 19.3 m-85 -110.68 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -96.08 -7.54 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . . . -164.48 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.14 -51.71 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 2.4 p90 -58.45 -28.01 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -62.69 -40.3 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 8.2 tp -84.82 -49.35 8.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -49.6 -31.22 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.69 -35.96 60.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.4 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 t60 -64.38 -41.08 96.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 4.2 mt -51.46 -27.95 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -63.43 -29.24 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 85' ' ' HIS . 3.5 m -69.16 -22.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.693 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 11.8 m-70 -74.72 -13.0 60.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.836 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -89.94 135.47 30.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.462 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.78 -22.78 31.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.384 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.95 128.77 93.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.697 0.761 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 125.76 12.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.03 -6.89 83.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 100' ' ' LYS . 16.1 t -80.46 -32.15 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.3 24.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 17.5 tptt -88.87 147.45 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 2.4 mt -139.58 152.13 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.1 m-85 -134.04 135.02 43.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.13 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -128.9 131.13 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.1 p -57.75 -56.28 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.31 -42.52 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.44 -42.1 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 91' ' ' PHE . 10.0 tp -67.64 -44.4 78.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.66 -38.92 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -77.53 -30.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 66.1 t60 -77.98 -21.67 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.462 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.4 mtpm? -80.72 -37.85 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 113' ' ' ARG . 3.5 ptm85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.947 0.403 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -122.94 136.33 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 49.3 t -40.08 115.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -64.97 -11.5 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -71.02 123.22 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.6 151.32 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.91 11.73 58.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.4 t -113.68 149.29 34.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -124.91 109.21 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -149.02 179.73 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 128.56 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -139.18 154.5 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.8 -11.48 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -139.69 132.14 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -46.74 -39.79 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -51.56 -53.97 32.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.47 -37.98 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.66 -49.25 78.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 64.6 mttt -76.78 -20.44 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.1 t60 -84.86 -2.25 57.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.7 mmt -87.92 -21.18 25.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.98 -21.21 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.58 -16.35 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.6 m-70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 3.1 pt-20 -90.97 148.09 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.47 165.08 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m -132.14 164.86 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 100.29 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.16 98.93 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 13.7 t-105 -107.13 123.45 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mt -122.44 100.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 9.0 t70 -77.77 130.7 37.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.7 -34.04 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.93 1.87 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 20' ' ' ASP . 15.4 pt20 -67.66 126.12 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.2 16.06 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.6 t -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.2 tpt180 -153.05 140.25 13.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.8 Cg_endo -69.74 149.89 89.24 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.343 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.446 ' HE2' ' NE2' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -44.85 124.2 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.97 149.54 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -101.23 151.42 21.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 140.03 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -116.67 121.37 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 18.7 ttt85 -174.24 168.08 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 p -145.06 168.03 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -152.16 164.62 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -104.71 -27.68 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 p -123.7 169.45 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.58 -55.97 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -48.83 -34.72 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.21 -44.33 95.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.0 tp -67.61 -57.88 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.435 ' CG1' ' NH1' ' A' ' 83' ' ' ARG . 57.2 t -49.87 -53.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.6 m -50.75 -30.24 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 48' ' ' GLU . 33.8 t60 -80.97 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.429 ' CG1' HG23 ' A' ' 82' ' ' ILE . 14.0 t -54.04 -21.91 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.17 -56.44 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' HIS . 7.0 mtt -87.35 -49.96 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 44' ' ' HIS . 31.4 mm-40 -70.85 3.51 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.3 -73.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.9 t -69.78 -2.89 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.62 -170.17 46.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.21 -162.28 34.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.59 -44.25 7.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.83 107.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -54.86 -76.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.01 98.45 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.7 109.72 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.51 134.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -102.33 113.73 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -99.21 96.88 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 85' ' ' HIS . 6.0 t-105 -90.93 145.12 25.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -45.02 -25.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -151.42 31.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.2 t -44.41 134.23 4.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -19.59 35.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -88.57 -1.19 57.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 49.44 31.36 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.97 63.21 3.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -112.99 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LYS . 3.5 t -36.82 154.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 78' ' ' LEU . 63.9 m-85 -102.91 -173.71 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 15.12 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . . . -162.53 178.65 8.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -88.76 -47.9 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 24.6 p90 -65.95 -18.98 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.649 ' CD ' ' CE1' ' A' ' 76' ' ' TYR . 24.3 mmmt -70.48 -40.48 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 72' ' ' PHE . 2.4 tp -80.15 -52.98 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -51.4 -30.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.4 -21.04 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -75.4 -44.08 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.429 HG23 ' CG1' ' A' ' 45' ' ' VAL . 2.0 mt -52.71 -24.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' NH1' ' CG1' ' A' ' 42' ' ' VAL . 15.1 mmt180 -59.25 -16.15 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.5 m -87.64 -10.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 62' ' ' TRP . 23.4 m-70 -98.11 -4.27 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.691 0.758 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.94 136.02 29.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 133' ' ' ALA . 54.6 Cg_endo -69.71 3.48 2.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.4 t80 -107.95 131.41 21.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.9 Cg_endo -69.77 -53.74 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.74 -2.86 13.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.3 t -100.48 -48.81 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.69 25.32 3.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 15.5 tptt -89.27 152.23 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.465 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 6.9 mt -136.21 144.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -128.87 159.85 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.08 0.09 48.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -123.37 150.17 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.4 p -76.1 -46.84 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -60.38 -34.71 74.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.89 -49.0 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.78 -59.05 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -40.9 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 72.9 mt -75.59 -31.37 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 17.5 t60 -81.0 -20.04 42.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.457 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 7.3 mtpm? -76.75 -28.65 55.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 9.9 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.396 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' CYS . 14.1 ttpp -122.69 133.21 54.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.414 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 47.8 t -37.28 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -63.89 -7.71 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.488 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.7 t80 -71.17 120.62 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 10.6 tp10 -62.05 145.13 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.463 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 70.76 18.16 75.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.47 144.57 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.92 105.97 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -151.02 177.39 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -147.23 128.24 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -127.34 158.93 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 94' ' ' PRO . . . -111.08 -19.21 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.42 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.7 OUTLIER -130.48 137.63 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -53.2 -36.08 60.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -55.63 -44.23 76.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 29.5 m-20 -63.75 -43.96 94.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -57.13 -45.0 83.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -72.52 -21.19 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.2 mtpp -84.89 -21.14 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 69.8 t60 -81.47 -3.39 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -18.69 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.2 OUTLIER -59.72 -20.26 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.519 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.2 -19.46 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.488 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 22.7 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -90.51 122.55 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.7 mt -102.3 167.9 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -140.5 131.56 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.74 87.98 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -81.3 98.89 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.74 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 18.3 t-105 -107.05 122.91 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.449 HG22 ' NE2' ' A' ' 23' ' ' GLN . 2.6 mt -122.73 99.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 2.5 t0 -74.6 103.27 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -37.07 -51.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.88 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.449 ' NE2' HG22 ' A' ' 19' ' ' ILE . 15.6 pt20 -78.91 141.94 37.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.56 16.25 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 18.7 p -111.7 144.74 40.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.4 mmm180 -153.1 134.87 8.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.73 152.5 92.3 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.341 -0.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -45.8 125.75 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HD3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -111.82 175.46 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 31' ' ' CYS . 3.1 p -117.92 125.07 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.0 t -35.01 99.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.28 111.95 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -175.11 168.96 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.638 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.7 t -156.5 174.01 16.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -152.1 167.22 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -88.5 -45.51 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.2 p -114.12 157.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.3 tpp -57.98 -54.82 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -42.02 -43.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.42 -44.55 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 45' ' ' VAL . 12.8 tp -69.19 -48.75 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 t -51.38 -51.49 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.1 m -56.46 -25.82 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.8 t60 -83.03 -62.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 41' ' ' LEU . 19.4 t -54.41 -21.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.1 m -93.18 -56.3 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.407 ' C ' ' H ' ' A' ' 49' ' ' HIS . 2.0 mtt -88.01 -50.01 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.519 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 30.8 mm-40 -70.63 3.41 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.5 m-70 -142.33 -73.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.7 t -70.0 -2.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 48.01 -174.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.64 -168.45 42.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.69 -23.14 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 50' ' ' VAL . 8.4 mt-30 -59.02 126.77 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -46.18 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -112.54 130.73 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 8.4 m170 -95.85 106.79 18.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 t -139.25 136.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.553 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.84 112.8 24.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 11.6 m-85 -99.32 97.36 8.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.6 t-105 -90.28 145.39 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -42.39 -22.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' TRP . 32.6 mm-40 -159.55 33.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.5 t -43.8 134.52 3.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.17 27.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.18 -22.35 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 73.83 34.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.43 55.38 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 8.7 mmmt -87.79 89.59 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m -35.0 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 29.4 m-85 -123.24 160.71 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HE2' ' CA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -99.2 40.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -173.84 136.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 58' ' ' HIS . 12.9 mmmt -61.32 -36.88 81.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -85.35 -6.74 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 15.8 mmtt -80.18 -41.13 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 tp -78.83 -37.09 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.0 t -60.16 -56.42 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' C ' ' HD2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -47.71 -28.29 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -72.12 -41.04 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.436 ' CD1' HG11 ' A' ' 45' ' ' VAL . 2.8 mt -58.27 -23.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.638 ' N ' ' NE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -47.72 -40.63 20.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 85' ' ' HIS . 2.6 m -68.23 -24.27 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.546 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.17 -1.06 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.412 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.78 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.9 135.86 24.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.4 Cg_endo -69.72 3.13 2.93 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -96.9 132.5 25.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.73 -53.92 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.35 42.27 3.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.2 t -134.14 -55.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.18 25.96 57.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 35.0 tptt -92.1 150.79 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.412 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 4.0 mt -139.68 140.97 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -125.82 134.35 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.64 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -110.1 131.12 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.3 p -57.94 -51.23 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 6.6 tt0 -54.54 -43.25 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -58.47 -38.56 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 102' ' ' PHE . 6.3 tp -72.04 -46.7 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -60.71 -48.12 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 64.5 mt -63.99 -33.04 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 27.4 t60 -80.3 -24.43 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.465 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 14.2 mtpt -78.56 -32.47 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.435 ' CE1' ' OG ' ' A' ' 135' ' ' SER . 98.4 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -123.03 138.01 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 50.6 t -43.83 115.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.54 -7.37 37.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -71.48 141.05 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.98 152.88 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 53.78 26.9 34.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 5.9 t -121.81 139.71 53.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -120.0 106.74 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -148.01 -178.08 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -155.29 130.29 9.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.31 146.64 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.25 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.63 152.88 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.435 ' OG ' ' CE1' ' A' ' 121' ' ' PHE . 9.5 m -60.19 -49.04 79.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 p -45.59 -46.47 14.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.63 -35.12 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.22 -53.57 42.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -60.69 -20.69 61.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.8 mttp -76.95 -19.57 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 55.7 t60 -85.33 -2.28 57.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -87.86 -22.24 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -56.05 -20.65 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.11 -16.16 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.52 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 18.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.708 0.289 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -94.47 131.46 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.14 161.34 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -126.6 127.9 45.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.6 t -111.42 93.73 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 30' ' ' SER . 0.0 OUTLIER -94.33 98.91 11.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 9.7 t-105 -107.17 114.46 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -111.52 113.67 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.42 133.22 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.94 -40.18 54.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.87 28.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 7.9 pt20 -80.54 137.54 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 2.9 tt -92.79 0.4 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.46 127.88 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.6 tpt180 -128.78 140.01 37.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.81 165.56 76.45 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 23' ' ' GLN . 32.9 mmtm -50.28 118.96 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -105.04 152.42 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 5.2 p -104.97 163.94 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.19 -56.61 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.06 57.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.597 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 19.2 tpt180 -115.92 152.24 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.509 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.4 p -130.27 164.0 25.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.597 ' CZ ' ' CG ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -153.04 166.77 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -97.49 -32.53 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -126.06 165.24 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.463 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 6.1 tpt -64.82 -55.62 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -44.39 -33.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.34 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 62.2 tp -72.8 -38.84 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.44 -57.46 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.37 -28.03 27.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t60 -82.78 -62.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG11 ' CG2' ' A' ' 82' ' ' ILE . 75.6 t -53.72 -22.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 42.9 m -93.04 -56.4 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.0 mtt -87.26 -50.04 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.5 mm-40 -70.67 3.26 3.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.07 -74.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.2 t -69.42 -2.96 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 72.73 -173.76 46.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . . . -104.78 -160.64 23.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.84 5.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -104.3 7.38 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.434 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 3.9 tp-100 -86.58 146.31 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 57' ' ' ASN . 1.1 p-10 -90.02 -71.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 29.2 t30 -95.21 100.76 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 55' ' ' GLN . 1.0 OUTLIER -90.7 111.35 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.638 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 2.4 t -138.6 132.51 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.24 114.29 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.638 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.6 m-85 -111.77 97.38 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.7 t-105 -90.9 146.54 23.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -37.81 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 62' ' ' TRP . 3.3 mm-40 -148.6 49.63 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.554 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 41.9 t -86.57 135.24 36.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.76 37.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 1.6 mmp_? -67.38 -32.21 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 54.05 15.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 119.59 -24.69 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.55 105.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -177.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -113.69 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -100.69 -10.65 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.59 153.48 38.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 52' ' ' GLY . 14.2 tppt? -63.46 -54.46 36.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 77' ' ' LYS . 6.2 p90 -55.91 -34.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.491 ' N ' ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -68.77 -33.61 74.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.457 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -77.01 -43.73 33.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.37 -51.56 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -51.48 -33.8 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CE1' ' CG ' ' A' ' 67' ' ' ARG . 5.8 t60 -68.65 -39.5 80.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 ' CG2' HG11 ' A' ' 45' ' ' VAL . 10.9 mt -65.01 -16.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.5 -20.94 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 85' ' ' HIS . 4.8 m -80.87 -21.66 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.428 ' N ' HG23 ' A' ' 84' ' ' VAL . 51.8 m-70 -77.87 -4.54 47.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.463 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 26.9 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.69 ' CE2' ' CD2' ' A' ' 108' ' ' LEU . 1.5 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.3 Cg_endo -69.71 -165.8 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 42.6 t -89.74 131.23 40.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -68.8 132.75 90.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.8 Cg_endo -69.73 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.23 40.8 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 8.2 t -135.71 -55.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.36 19.26 39.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 7.3 tptm -83.25 150.91 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.426 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 5.0 mt -129.51 147.43 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.617 ' CZ ' ' CG ' ' A' ' 111' ' ' HIS . 9.0 m-85 -131.92 135.17 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.47 -13.1 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.13 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -61.23 -48.48 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.75 -30.11 65.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -53.28 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 91' ' ' PHE . 1.2 tp -61.36 -53.4 57.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -52.83 -34.19 52.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 96.8 mt -84.33 -29.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.617 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 57.8 t60 -79.41 -22.24 44.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -79.65 -28.52 40.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 1.4 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.9 ttpt -106.31 137.6 43.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' LYS . 25.8 t -37.57 134.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.1 -6.41 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -71.73 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.17 21.08 79.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 10.7 t -121.09 148.62 43.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.415 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 1.1 m-20 -124.99 109.1 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 29.1 mmt180 -151.95 173.78 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -145.28 134.37 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 121' ' ' PHE . 38.8 m-85 -147.4 161.5 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.86 -11.23 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.71 136.46 35.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -49.0 -37.76 21.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.2 m -53.45 -52.19 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.75 -48.19 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -59.05 -36.99 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -73.64 -24.38 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -74.4 -21.11 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 39.4 t60 -86.27 0.29 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.67 -20.31 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -56.43 -20.09 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.38 -18.01 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 17.2 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.7 133.87 34.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -92.54 167.89 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.1 m -148.61 134.89 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.33 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -83.59 98.85 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 15.4 t-105 -107.03 118.58 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.457 HD12 ' CG ' ' A' ' 63' ' ' GLU . 2.6 mt -118.36 99.11 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 18.5 m-20 -74.0 112.18 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.72 -32.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.35 39.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -42.35 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 2.2 tt -106.53 0.02 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -128.09 174.68 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 12.0 tpt180 -146.93 132.87 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -172.09 7.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.332 0.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 87.2 mttt -63.33 126.92 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 160.61 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.73 152.09 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.64 98.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.25 84.88 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -140.66 158.15 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -148.78 168.19 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -152.44 170.11 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -96.85 -36.2 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -114.32 158.77 21.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.7 tpp -65.44 -44.0 88.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -53.06 -43.27 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.12 -39.23 74.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 tp -73.46 -51.57 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 t -50.76 -56.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -52.91 -26.31 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.3 t60 -82.89 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.444 ' CG1' HG23 ' A' ' 82' ' ' ILE . 37.6 t -54.1 -21.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 19.3 m -93.05 -56.33 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.407 ' C ' ' H ' ' A' ' 49' ' ' HIS . 4.6 mtt -87.96 -49.87 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 24.3 mm-40 -70.67 3.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.718 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 9.9 m-70 -142.38 -73.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.9 t -69.7 -2.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.42 -169.69 43.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.67 -165.48 30.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.43 10.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.72 27.82 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.732 ' N ' HE21 ' A' ' 55' ' ' GLN . 0.0 OUTLIER -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -85.74 -63.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -81.5 102.56 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 1.8 p-80 -109.27 111.27 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.2 t -140.14 138.34 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.459 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 116.86 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.8 96.78 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.574 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 3.9 t-105 -90.39 144.93 25.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.457 ' CG ' HD12 ' A' ' 19' ' ' ILE . 46.6 tt0 -43.71 -26.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -151.56 30.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.0 t -42.53 134.24 2.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.66 26.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.408 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 16.4 mmm180 -85.25 -18.65 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 4.3 mt-10 69.47 34.93 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.43 61.5 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -109.52 113.67 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.9 p -43.27 161.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.79 -179.8 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -84.72 -22.12 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.84 170.59 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -52.65 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -58.38 -24.14 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.61 -37.43 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 54.8 tp -80.11 -41.67 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.59 -34.13 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -74.64 -25.33 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.04 -49.51 44.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.444 HG23 ' CG1' ' A' ' 45' ' ' VAL . 3.7 mt -55.57 -17.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.504 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -61.51 -25.58 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.9 m -83.66 -19.98 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.574 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -75.52 -25.28 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.598 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' A' ' 108' ' ' LEU . 53.1 Cg_endo -69.82 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.83 135.4 30.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -22.06 32.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.753 2.302 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -71.64 133.03 84.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.82 -53.75 0.25 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.34 38.69 2.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.9 t -130.11 -62.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.38 21.96 68.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 27.3 tptt -87.41 150.46 23.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.708 0.29 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.42 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 4.9 mt -142.1 147.42 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -130.92 148.95 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.52 -13.52 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -114.34 149.64 35.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 t -73.66 -50.36 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.463 ' CG ' HD12 ' A' ' 110' ' ' ILE . 14.4 tt0 -58.41 -35.62 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 107' ' ' ASN . 1.0 OUTLIER -64.28 -28.18 69.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 92' ' ' PRO . 4.5 tp -85.49 -56.2 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.38 -24.74 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.463 HD12 ' CG ' ' A' ' 106' ' ' GLU . 86.8 mt -85.06 -32.49 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 8.2 t60 -80.24 -19.26 47.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -74.83 -26.96 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -120.08 136.56 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.8 t -42.55 118.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.21 -4.71 37.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.675 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.98 139.49 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -73.67 155.77 38.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.15 13.85 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.57 138.79 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.82 106.54 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 141' ' ' HIS . 56.0 mmm-85 -145.73 174.47 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 142.9 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -143.21 160.21 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -111.1 -20.19 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.552 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -129.17 150.94 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.4 p -52.01 -48.95 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 p -55.91 -55.55 31.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.423 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 7.2 m-20 -45.15 -28.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -83.07 -53.28 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -66.88 -15.01 63.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -78.96 -20.85 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.611 ' CE1' ' NH1' ' A' ' 130' ' ' ARG . 37.8 t60 -88.11 -0.12 56.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.71 -23.1 25.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -52.93 -20.45 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.24 -16.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.675 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.446 ' NE2' HD21 ' A' ' 14' ' ' LEU . 3.7 pm0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.71 145.17 26.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 34' ' ' THR . 9.6 mt -109.62 168.06 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 m -140.2 128.12 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 2.3 t -122.97 98.43 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -93.77 98.09 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.644 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 8.1 t-105 -107.97 122.65 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 4.1 mt -124.13 99.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLN . 42.5 t0 -83.28 114.92 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -39.28 -31.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.93 40.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -44.83 169.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -101.18 -14.21 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.418 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.4 175.21 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -150.62 134.94 9.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.1 Cg_endo -69.79 -166.55 3.32 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 22.6 mttp -70.38 132.98 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -133.58 162.76 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -88.88 142.45 27.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -41.72 -26.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 55.55 52.78 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 34' ' ' THR . 6.9 tpm_? -111.43 151.0 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 7.0 p -149.03 161.8 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 62.9 m-85 -152.15 171.03 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.5 p -95.23 -39.43 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -111.45 157.24 20.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.3 tpp -58.89 -55.77 30.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -42.74 -39.0 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 30.6 mt-10 -63.38 -42.85 98.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 13.2 tp -68.45 -49.04 62.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.52 -54.34 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.8 m -52.3 -29.31 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.522 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 45.5 t60 -81.5 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 22.0 t -54.58 -21.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.02 -56.73 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.409 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.5 mtt -87.84 -49.79 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 10.1 mm-40 -70.82 4.13 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.644 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.4 -74.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.3 t -69.18 -3.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.34 -160.19 49.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.32 -164.93 22.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.461 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' GLN . 52.1 mt-10 -83.45 -54.01 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -38.0 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -84.6 -68.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -91.18 121.27 32.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.553 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 22.9 m80 -108.4 106.25 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 58' ' ' HIS . 87.7 t -141.58 118.09 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -88.59 118.25 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -97.4 97.03 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.35 145.77 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 3.9 tm-20 -48.53 -18.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -156.0 34.37 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 1.1 t -55.43 136.12 69.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.7 0.762 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.46 14.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.604 ' NH2' ' CE2' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -67.4 -4.99 12.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 39.43 44.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.3 75.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.4 ttpt -85.99 80.54 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' LYS . 74.9 m -34.58 133.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.604 ' CE2' ' NH2' ' A' ' 67' ' ' ARG . 52.9 m-85 -98.08 149.53 22.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 38.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.15 113.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HE3' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -51.65 -30.49 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 3.6 p90 -73.96 -33.99 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.568 ' CD ' ' CE1' ' A' ' 76' ' ' TYR . 11.0 mmmm -64.02 -39.39 94.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -73.28 -40.36 64.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.4 t -61.18 -56.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.25 -35.8 67.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -43.21 81.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.474 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.8 mt -56.24 -18.04 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 4.8 mmt85 -69.69 -27.48 65.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 85' ' ' HIS . 3.1 m -78.4 -22.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.793 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -69.17 -8.39 45.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.674 0.75 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 43.4 t -90.77 136.71 27.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.669 0.747 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.47 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.92 2.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.8 t80 -99.56 134.36 21.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.5 Cg_endo -69.71 -54.07 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.44 45.02 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 22.8 t -134.52 -48.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.96 22.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 tptm -95.81 153.62 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 6.1 mt -144.22 158.27 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -141.63 132.17 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.24 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -110.11 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -55.72 -60.15 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -48.54 -41.07 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -55.44 -35.45 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 91' ' ' PHE . 14.8 tp -76.73 -42.25 41.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -64.02 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.49 -32.11 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 28.0 t60 -75.9 -46.65 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.2 mtpm? -55.21 -33.29 62.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.06 138.06 54.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.89 110.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.419 ' CG ' ' HD2' ' A' ' 138' ' ' ARG . 13.8 mt-10 -48.8 -19.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.79 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -73.95 112.65 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 154.94 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.2 3.22 23.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.4 t -102.18 152.92 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.466 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 12.0 t70 -123.76 106.01 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.466 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 17.8 mmt180 -154.19 -173.91 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -153.04 128.49 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 63.0 m-85 -130.0 146.43 51.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -101.16 -13.27 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.591 ' N ' HD21 ' A' ' 134' ' ' ASN . 0.0 OUTLIER -140.1 150.05 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 28.2 p -62.18 -33.79 75.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.6 t -60.54 -54.85 40.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.41 -46.27 83.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 6.6 ttp180 -54.75 -41.2 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -76.51 -14.96 59.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 17.9 mttm -81.67 -25.0 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 34.9 t60 -82.61 -0.33 46.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -87.75 -20.17 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER -57.6 -20.24 31.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.401 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.74 -19.22 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.79 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 p -167.37 146.48 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -151.46 158.03 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.24 58.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 m 41.95 44.18 2.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -60.12 128.47 36.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.02 -152.84 50.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' CD ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 tp-100 -111.69 140.33 23.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' CD ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.8 -163.66 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.64 135.03 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 105.13 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -113.5 144.32 43.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -99.11 140.38 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mt -117.98 167.83 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 t -156.51 130.17 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.38 96.67 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -76.96 98.55 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 12.8 t-105 -107.35 112.81 25.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.464 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 2.7 mt -109.98 99.0 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.84 124.08 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.07 -27.94 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.53 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.441 ' NE2' ' HD2' ' A' ' 28' ' ' LYS . 9.7 pt20 -63.05 130.97 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.09 7.1 46.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.412 ' C ' ' HD3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.03 126.54 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -122.52 157.22 59.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.77 150.65 90.51 Favored 'Cis proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.354 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HE2' ' CG2' ' A' ' 19' ' ' ILE . 4.3 mmmm -32.92 125.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.91 157.82 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.05 163.48 15.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -70.86 107.34 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -85.58 110.31 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -172.55 167.51 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.575 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 7.7 p -148.56 167.5 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -146.44 157.5 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -94.43 -21.32 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.4 p -133.77 163.81 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 tpp -69.09 -54.32 15.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -43.42 -49.72 7.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.23 -37.12 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' A' ' 45' ' ' VAL . 8.6 tp -73.64 -25.47 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.46 -58.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.1 m -51.32 -30.48 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.9 t60 -81.9 -62.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.44 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 71.2 t -54.21 -21.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.9 m -93.09 -56.62 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.1 mmm -87.98 -49.98 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 6.3 mm-40 -70.26 2.93 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.41 -71.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 50' ' ' VAL . 2.3 t -70.48 -11.34 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 82.18 178.1 52.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.25 -170.95 41.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.24 3.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.59 -33.13 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -71.81 130.59 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -78.13 -74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -80.79 99.99 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.532 ' CD2' HD22 ' A' ' 78' ' ' LEU . 1.1 p-80 -105.62 126.56 52.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.58 129.08 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -97.19 118.29 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -103.97 97.19 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.601 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.49 145.82 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -44.21 -21.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 62' ' ' TRP . 3.7 pt-20 -159.31 32.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.491 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.67 134.24 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.81 36.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -88.38 -23.68 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 74.95 24.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 60.94 2.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -109.45 150.36 28.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -90.19 156.1 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 77.5 m-85 -109.83 -177.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -108.73 18.86 20.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.52 157.12 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -66.65 -51.59 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 34.8 p90 -55.04 -26.98 41.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 76' ' ' TYR . 14.8 mmtp -66.7 -40.94 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.532 HD22 ' CD2' ' A' ' 58' ' ' HIS . 9.8 tp -76.03 -50.81 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.35 -35.26 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 1.3 t30 -73.1 -29.7 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.08 -53.99 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.44 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.2 mt -49.38 -18.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 42.4 mmm-85 -55.7 -26.95 47.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.63 -20.31 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.601 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.42 -11.89 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.3 p -83.24 -62.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.12 56.24 3.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.84 132.93 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' CB ' HG22 ' A' ' 101' ' ' ILE . 1.2 mmmm -135.0 153.97 78.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -51.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.46 133.54 6.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.2 t -98.2 135.88 21.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.417 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -100.4 132.11 22.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.76 -53.81 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.48 38.6 2.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.2 t -132.73 -42.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.98 21.78 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 12.6 tptm -85.81 152.02 23.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 4.2 mt -140.09 144.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -128.32 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.26 1.74 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -123.84 145.93 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.9 t -74.87 -37.72 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.31 -31.83 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.27 -46.51 76.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.73 -49.95 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -58.97 -38.65 79.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 86.9 mt -78.11 -28.66 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.513 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 8.8 t60 -81.93 -22.23 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.7 mtpm? -73.01 -26.96 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.8 ptm180 -79.2 -20.92 47.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 8.4 t -82.45 0.01 44.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -83.76 -67.36 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.2 m -175.73 158.5 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.526 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . -71.49 -46.04 42.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.433 ' N ' HG21 ' A' ' 116' ' ' THR . 63.1 tt0 -90.9 157.94 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 132' ' ' PHE . 51.3 mttt -89.03 153.93 49.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.61 5.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.36 103.75 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -106.6 132.19 52.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 47.9 t -38.41 126.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.63 -11.85 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.3 t80 -71.76 119.24 15.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.73 148.03 52.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.26 9.19 63.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 7.6 t -108.24 147.29 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.402 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 28.9 m-20 -120.13 105.96 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.402 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 12.2 mmm180 -151.02 -177.79 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -157.21 136.42 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 119' ' ' LYS . 12.5 m-85 -147.44 160.59 42.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.26 -16.42 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -128.09 128.99 45.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 t -48.2 -20.77 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 66.8 m -66.98 -53.76 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -54.05 -53.34 54.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -52.05 -57.14 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -56.09 -22.7 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 16.1 mtpp -84.18 -21.46 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.4 t60 -84.69 -1.57 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.69 -23.17 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER -54.92 -20.13 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.4 -12.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.638 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.8 m-70 -79.91 -31.9 40.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 145' ' ' HIS . 0.0 OUTLIER -34.7 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 145' ' ' HIS . 2.7 m -110.82 167.56 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -123.07 176.05 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -128.44 127.3 42.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.7 t -111.16 105.42 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.37 -89.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 107.43 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -60.93 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 m -79.94 94.69 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -137.98 117.46 12.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 p -160.64 114.54 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 -173.09 13.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -47.89 143.08 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -161.43 147.49 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.9 89.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -93.63 145.91 30.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -164.09 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -92.04 129.34 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -83.03 131.41 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.87 143.85 28.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -90.85 145.02 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 8.0 mt -120.21 166.58 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p -138.36 128.12 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 t -113.81 95.11 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -89.76 98.97 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.744 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 12.3 t-105 -107.25 116.31 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -112.87 105.37 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 123.08 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -25.66 67.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.11 33.73 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 16.9 pt20 -76.14 129.65 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.59 6.72 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 t -111.59 153.49 26.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 7.1 mmm-85 -150.9 148.44 23.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.8 169.7 62.24 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 0.1 OUTLIER -46.71 108.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 152.72 22.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -102.02 146.49 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.99 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -77.9 110.85 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -169.02 166.52 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.434 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 17.3 p -145.72 169.8 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' THR . 10.2 m-85 -149.84 167.93 25.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.4 p -99.68 -41.16 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 p -120.17 164.03 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.438 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 21.9 tpp -63.99 -48.55 76.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -51.9 -38.63 56.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -62.7 -35.91 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD13 ' CG2' ' A' ' 45' ' ' VAL . 15.6 tp -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.21 -57.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.8 m -50.35 -27.62 6.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' GLU . 37.1 t60 -83.03 -62.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 82' ' ' ILE . 37.4 t -54.2 -21.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.5 m -93.08 -56.26 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.6 mtt -88.15 -49.85 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.8 mm-40 -70.65 3.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.47 -73.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.5 t -69.93 -2.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.11 -153.77 47.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.2 -161.07 13.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.53 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.01 -13.2 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . 4.5 mm100 -73.42 141.89 46.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.28 -76.69 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -87.4 112.13 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -99.78 105.78 17.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.0 t -136.46 138.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.544 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.73 114.88 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.21 97.14 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.74 145.55 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -45.39 -20.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 62' ' ' TRP . 18.4 pm0 -158.74 33.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.3 t -47.01 134.09 8.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.06 35.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.25 -24.73 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 70.49 28.45 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.21 -27.6 17.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.28 104.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p -70.03 -176.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 4.4 m-85 -118.16 -177.49 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.03 20.15 18.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -167.16 163.95 15.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -70.96 -53.85 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.532 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -55.07 -27.97 48.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -63.13 -40.51 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -80.28 -44.61 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.11 -39.4 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -73.47 -23.09 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.33 -51.72 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG2' HG11 ' A' ' 45' ' ' VAL . 2.9 mt -50.03 -19.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.472 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 1.1 mmp_? -57.19 -21.76 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.91 -12.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 7.2 m-70 -89.31 -15.66 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.428 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 54.7 p -85.59 -77.61 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.43 -29.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.82 153.88 42.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.465 ' CB ' HG21 ' A' ' 101' ' ' ILE . 6.8 mmmt -96.27 154.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -156.3 141.28 12.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.7 t -92.7 136.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.48 2.75 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.0 t80 -96.02 133.23 25.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.76 -53.83 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.608 2.206 . . . . 0.0 112.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.79 43.98 3.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.8 t -134.61 -58.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.42 27.65 68.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 20.5 tptt -95.04 152.32 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.465 HG21 ' CB ' ' A' ' 89' ' ' LYS . 4.1 mt -140.13 143.1 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -127.89 129.25 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' N ' ' HE3' ' A' ' 89' ' ' LYS . . . -67.59 -3.02 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -123.19 131.26 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -59.09 -47.91 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -36.26 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -66.12 -37.5 85.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.4 tp -70.65 -51.56 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 41.9 pttt -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 53.6 mt -67.06 -28.81 44.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.483 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 40.5 t60 -81.49 -24.22 36.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -78.02 -35.97 49.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.5 ptp180 -62.88 -23.7 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 115' ' ' HIS . 7.5 t -82.38 -22.49 35.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.455 ' N ' HG21 ' A' ' 114' ' ' THR . 4.6 m-70 -64.29 -6.95 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 49.4 m -56.31 165.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.445 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . 120.43 -85.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.59 143.7 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.439 ' CE ' ' HB2' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -99.94 143.88 27.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.837 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -42.09 3.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -117.47 128.94 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.439 ' HB2' ' CE ' ' A' ' 119' ' ' LYS . 41.5 tttp -122.63 138.0 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -47.67 127.16 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.84 -11.06 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.03 122.69 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 127' ' ' GLY . 37.4 tt0 -62.57 158.55 17.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 126' ' ' GLU . . . 57.33 15.36 15.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.04 141.57 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -123.02 107.33 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -145.31 175.0 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -149.68 118.85 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 68.5 m-85 -123.74 154.36 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.48 -16.47 16.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.545 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -132.98 142.39 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -55.09 -36.19 65.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.3 m -55.83 -55.3 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.06 -52.68 40.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.54 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 9.5 ttp180 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -60.38 -38.17 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -62.9 -19.53 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.6 t60 -86.78 -0.64 56.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.89 -21.81 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -54.82 -20.87 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.597 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 -78.04 -39.06 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -67.77 -59.31 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.7 p -63.07 150.65 42.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -169.53 139.42 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.89 167.61 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.3 t -81.2 167.73 19.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 152' ' ' PRO . . . 88.81 51.62 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 151' ' ' GLY . 53.3 Cg_endo -69.8 155.98 64.4 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 155' ' ' GLY . 47.9 t -95.82 107.37 19.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 153' ' ' SER . 68.0 m -36.17 95.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 153' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -127.3 144.88 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -76.54 116.59 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.07 160.61 23.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -77.57 178.67 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -130.32 112.5 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.49 -176.23 19.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -93.43 148.61 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 141.52 45.45 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.76 2.307 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 mt -106.69 140.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -97.47 103.23 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -103.14 144.99 30.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.56 116.62 32.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 5.3 mt -106.32 167.94 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.9 m -143.6 144.33 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 102.06 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -92.63 99.0 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.55 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.01 108.54 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.96 103.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.45 -72.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 41.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 5.0 pt20 -59.87 156.61 13.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.0 tp -83.76 -5.29 59.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -103.82 154.32 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.9 tpt180 -152.98 140.11 12.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.74 172.39 49.14 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.377 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' CD ' ' A' ' 23' ' ' GLN . 0.3 OUTLIER -47.16 108.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 165.31 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.8 p -112.75 148.58 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 138.96 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -104.76 122.31 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.91 165.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.581 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -145.83 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 34' ' ' THR . 1.1 m-85 -152.81 164.2 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.0 p -96.82 -31.38 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 p -125.28 158.51 33.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.444 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 22.9 tpp -58.49 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -47.61 -40.12 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.52 -39.6 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 11.8 tp -71.66 -47.93 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -56.66 -54.22 31.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.0 m -47.95 -28.3 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.4 t60 -82.89 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG12 ' CG2' ' A' ' 82' ' ' ILE . 20.7 t -54.19 -21.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.4 m -92.92 -56.46 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.402 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.7 mtt -87.9 -49.91 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 35.8 mm-40 -70.68 3.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.55 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.9 m-70 -142.88 -73.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.9 t -69.97 -2.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.36 -165.27 46.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.3 -166.63 27.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -3.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -80.4 -20.94 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.54 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -75.63 155.02 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -67.99 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -82.38 109.36 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 31.8 m80 -102.34 110.44 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.73 134.31 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 117.38 32.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -102.45 97.21 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 4.9 t-105 -90.73 145.22 24.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -43.14 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -158.79 33.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.1 t -44.2 134.06 4.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -87.23 -18.02 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 69.64 31.81 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.13 58.27 9.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -103.86 115.03 29.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -47.05 170.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.26 179.59 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -82.89 -22.58 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . . . -144.84 172.5 12.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.059 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 1.5 tmtm? -70.72 -48.88 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.5 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 48.3 p90 -62.52 -24.09 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.5 ' HD2' ' CE1' ' A' ' 76' ' ' TYR . 12.4 mmmm -60.34 -40.41 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.14 -41.92 33.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.0 t -51.7 -37.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 95.0 m-20 -70.65 -36.63 73.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -58.93 -47.36 85.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG2' HG12 ' A' ' 45' ' ' VAL . 3.2 mt -55.06 -17.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 14.1 mmm180 -67.74 -23.04 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.8 m -83.3 -20.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.49 -9.66 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p -98.0 -54.07 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.88 69.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -107.91 116.19 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' CB ' HG23 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -119.73 147.31 43.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.566 0.698 . . . . 0.0 110.919 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.481 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -156.15 142.52 13.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.83 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.8 135.82 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.468 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -99.15 132.46 23.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.3 Cg_endo -69.79 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.36 39.91 2.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.2 t -133.76 -44.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.27 29.28 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -93.32 151.33 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 89' ' ' LYS . 3.0 mt -141.15 142.28 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -127.64 136.36 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 -14.96 61.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -109.98 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -61.9 -48.98 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -57.19 -28.93 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -55.3 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 91' ' ' PHE . 15.6 tp -56.9 -56.08 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.541 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 7.9 ptmt -48.52 -50.27 32.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.541 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 82.0 mt -63.01 -31.85 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.461 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 9.6 t60 -81.96 -19.94 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 11.6 mtpt -75.6 -30.03 59.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 10.1 ptm180 -72.43 -32.32 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 12.6 t -68.37 -12.86 61.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -77.35 52.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -120.36 143.82 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 144.7 -86.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -115.11 146.08 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' CE ' ' HB2' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -91.9 144.63 29.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.52 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 62.0 m-85 -78.96 104.22 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.9 136.5 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.77 114.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.26 -14.07 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.2 t80 -71.25 119.9 16.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.46 150.94 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.56 9.2 58.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.51 150.49 28.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.19 106.92 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.467 ' NE ' ' CE1' ' A' ' 141' ' ' HIS . 26.0 mmt180 -142.53 -178.69 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.464 ' HB2' ' CE ' ' A' ' 119' ' ' LYS . 2.0 ptm180 -164.3 118.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 130' ' ' ARG . 7.9 m-85 -138.06 155.52 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -104.91 -10.52 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.514 ' N ' HD21 ' A' ' 134' ' ' ASN . 0.0 OUTLIER -134.94 138.62 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 1.3 t -54.59 -47.32 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.9 m -44.56 -39.44 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.49 -45.28 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -57.83 -48.78 78.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -65.41 -20.02 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.22 -20.54 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.0 t60 -86.74 -0.44 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 mmt -88.01 -22.35 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -54.82 -20.02 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.87 -15.29 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.1 m-70 -78.55 -18.73 54.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 162.59 13.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.8 t -91.5 84.59 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' SER . 28.6 m-20 -151.62 165.78 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -41.86 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 148' ' ' ASP . 16.6 m -41.34 -56.87 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 156.64 163.2 12.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -30.95 21.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.0 t -137.48 158.13 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 96.7 p -52.18 122.29 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.497 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -159.06 117.14 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -153.96 134.25 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 129.55 -135.78 8.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 m -36.21 -58.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 m -56.75 175.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.62 -172.7 12.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -88.75 146.21 36.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.75 24.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.33 107.57 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.3 142.72 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -102.42 115.1 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -84.59 127.85 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.2 mt -92.01 159.8 15.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.4 p -128.51 127.33 42.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.4 t -123.97 103.32 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.34 98.74 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 6.8 t-105 -107.15 125.64 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.11 110.02 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.76 139.13 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 8.8 mt-10 -76.83 -30.03 56.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.55 27.02 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -79.88 135.66 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.9 2.98 40.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 124.65 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -134.48 148.08 66.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 141.66 66.65 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.329 -0.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' PRO . 27.8 mttm -33.36 114.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.9 -178.01 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -115.44 142.74 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.47 176.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.36 115.67 12.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 34' ' ' THR . 7.7 tpm_? -173.36 153.21 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t -155.99 161.02 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 40' ' ' GLU . 37.2 m-85 -153.01 170.83 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -85.87 -40.6 15.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 p -115.19 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.2 tpp -64.26 -55.28 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -42.08 -34.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 35.3 mm-40 -67.53 -42.53 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 9.8 tp -67.54 -44.29 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -51.47 -50.93 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.6 m -51.42 -28.27 12.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.1 t60 -82.98 -62.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 19.3 t -54.06 -21.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -92.98 -56.5 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.402 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.3 mtt -88.03 -49.72 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 57.9 mm-40 -70.74 3.62 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.698 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.5 m-70 -142.99 -74.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 53.2 t -69.07 -2.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.1 -152.86 48.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.34 -166.72 22.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -12.13 32.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.9 tp10 -90.86 -4.16 56.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' ASN . 1.9 tt0 -66.93 111.77 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 p-10 -35.65 -77.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.8 131.14 54.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.485 ' H ' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -108.38 106.38 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -139.29 127.26 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -94.97 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 44.1 m-85 -101.58 96.99 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.771 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.95 145.02 25.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' CD ' ' OE1' ' A' ' 64' ' ' GLU . 1.4 tm-20 -43.24 -25.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' OE1' ' CD ' ' A' ' 63' ' ' GLU . 13.9 pm0 -154.5 31.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -42.82 134.13 2.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -23.16 31.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.611 2.207 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mtp85 -87.07 -18.96 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 71.16 32.49 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.1 53.41 33.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 107.42 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -50.43 148.65 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 8.1 m-85 -101.35 -179.63 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -98.16 20.23 12.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.01 178.14 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' CD ' ' ND1' ' A' ' 58' ' ' HIS . 2.2 mmmp? -86.75 -47.09 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.549 ' CE2' ' HD2' ' A' ' 77' ' ' LYS . 23.4 p90 -64.32 -24.23 67.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.549 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 14.1 mmmm -67.73 -40.3 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 13.3 tp -82.9 -49.89 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 73.1 t -48.76 -37.73 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -69.87 -36.55 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.29 -43.53 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 3.0 mt -54.03 -23.96 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -64.53 -25.01 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.5 m -77.23 -21.98 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.771 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.74 -20.39 60.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.1 p -93.11 -55.68 3.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.42 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 121.38 -11.25 9.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -70.56 143.52 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 102' ' ' PHE . 8.9 mmmt -104.69 144.14 28.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.14 137.28 9.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.71 -165.7 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.5 t -92.95 136.01 25.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.47 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.27 2.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.1 t80 -103.25 127.0 30.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.75 -52.93 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.36 -3.16 11.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 14.7 t -99.48 -54.39 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.97 28.46 53.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 9.2 tptm -95.4 148.95 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 1.7 mt -131.94 139.41 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CZ ' ' CG ' ' A' ' 111' ' ' HIS . 2.8 m-85 -124.53 149.6 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.43 -14.09 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -110.01 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -62.87 -43.11 99.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.52 -25.0 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.68 -46.46 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.469 HD13 ' CD ' ' A' ' 112' ' ' LYS . 7.1 tp -60.0 -53.32 59.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 13.6 ptmt -53.84 -50.08 67.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 65.0 mt -64.65 -27.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.578 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 22.0 t60 -81.87 -22.37 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 16.9 mtpt -84.35 -32.35 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -75.02 -15.06 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 t -94.15 -10.31 33.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.77 -49.58 76.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.3 m -174.66 144.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.85 -51.24 56.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.06 158.0 17.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.09 143.89 31.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.73 29.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.426 ' CD2' ' C ' ' A' ' 133' ' ' ALA . 90.1 m-85 -130.08 108.55 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 137.04 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.3 t -51.27 114.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.29 -3.89 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.778 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -75.04 120.62 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -63.95 150.87 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.48 15.78 57.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.48 137.5 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 1.9 p30 -116.15 105.99 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 12.2 mmt180 -153.44 -175.17 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -156.89 151.73 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 28.2 m-85 -150.11 163.99 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' C ' ' CD2' ' A' ' 121' ' ' PHE . . . -117.13 -15.61 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.43 129.42 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -41.9 -35.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -55.73 -46.59 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.47 -46.05 77.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.467 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 10.9 ttp85 -60.1 -32.24 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.39 -22.19 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 37.7 mtpt -80.33 -20.99 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 52.4 t60 -85.02 -2.71 58.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.1 mmt -87.94 -21.32 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.94 -20.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.79 -16.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.778 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 21.6 m-70 -78.61 -33.76 47.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -50.82 -21.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 m -154.55 123.96 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.0 140.15 47.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -123.76 152.61 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.8 t -57.97 -26.99 63.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.45 166.09 33.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.86 22.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 21.4 p -99.92 108.87 21.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.4 t 56.59 39.98 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.521 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -170.92 -175.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -150.31 159.62 44.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.32 -155.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -154.85 168.45 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -104.54 84.16 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.11 -141.81 7.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.41 144.18 29.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mt -106.23 117.21 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -101.47 125.53 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -87.7 142.85 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -85.16 133.18 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -105.47 167.23 9.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -153.31 141.97 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -128.38 95.9 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 98.81 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.533 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 13.0 t-105 -107.17 123.53 48.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -123.86 101.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.69 136.38 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.38 -28.21 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.84 22.3 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' CD ' ' HD2' ' A' ' 28' ' ' LYS . 6.7 pt20 -81.6 136.03 35.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -89.98 -2.38 58.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 130.64 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 6.0 tpt180 -136.46 133.02 19.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.72 166.35 74.17 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.334 -0.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HD2' ' CD ' ' A' ' 23' ' ' GLN . 3.2 mmmm -50.88 134.58 25.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -112.43 163.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.46 147.24 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -53.06 111.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -90.4 97.29 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -149.92 162.86 39.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -146.75 151.0 36.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -145.78 167.7 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -111.0 -28.28 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -118.36 146.7 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 tpp -63.08 -40.34 97.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -48.32 -40.53 25.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.8 tp -58.34 -25.65 62.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.09 -59.1 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.47 -28.94 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -82.44 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.496 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 85.3 t -54.1 -21.61 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.0 m -93.13 -56.38 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.4 mtt -88.2 -49.81 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.7 mm-40 -70.44 3.12 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.67 -71.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 2.5 t -70.51 -11.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 59.04 158.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.57 -167.68 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.53 28.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.01 -26.68 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASN . 25.3 mt-30 -79.95 93.48 5.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLN . 20.4 m-80 -35.85 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -84.1 96.44 8.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -95.2 115.02 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 t -138.0 131.88 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -93.92 119.8 33.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -104.53 97.38 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.631 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.9 t-105 -90.84 145.87 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -47.34 -19.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -157.81 32.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 3.3 t -47.22 134.34 9.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.48 34.55 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -85.82 -18.17 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 66.85 38.74 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.87 47.47 91.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -100.4 99.89 10.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -35.46 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 46.8 m-85 -95.67 170.42 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -26.51 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.13 172.71 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 3.8 tmtt? -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.48 ' CD1' ' HG2' ' A' ' 77' ' ' LYS . 5.6 p90 -60.39 -28.74 68.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 19.8 mmmt -66.42 -40.4 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 11.0 tp -66.56 -37.98 86.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.64 -44.86 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -64.5 -24.33 67.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 3.5 t60 -68.83 -50.39 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.496 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.5 mt -52.37 -20.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -59.73 -22.76 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.6 m -86.11 -19.1 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.631 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.5 m-70 -74.86 -12.75 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.2 p -106.13 -55.3 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 89.73 1.84 76.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -85.03 121.45 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' CB ' HG23 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -121.16 144.03 38.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 53.7 Cg_endo -69.82 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.627 2.218 . . . . 0.0 112.309 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.493 ' CD1' HD21 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -156.25 139.84 11.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.454 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.6 Cg_endo -69.73 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.9 t -94.46 135.97 23.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.23 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -97.78 132.21 25.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 52.8 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.42 45.08 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 20.7 t -134.36 -46.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.38 28.4 20.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 24.3 tptt -96.44 151.54 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 89' ' ' LYS . 4.4 mt -140.15 139.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -124.71 160.02 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.461 ' HA ' ' CD ' ' A' ' 90' ' ' PRO . . . -101.22 -12.77 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -110.11 134.72 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.437 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 61.3 mm-40 -62.96 -29.03 70.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.0 -54.35 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.493 HD21 ' CD1' ' A' ' 91' ' ' PHE . 5.2 tp -57.57 -47.84 80.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 1.7 ptmm? -62.27 -46.92 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.487 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 47.9 mt -69.71 -27.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.547 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.2 t60 -82.04 -26.05 34.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -74.6 -28.02 60.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 7.7 ptp180 -73.71 -18.89 60.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 7.1 t -87.27 -4.92 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.442 ' CG ' ' CD2' ' A' ' 95' ' ' PHE . 7.3 m-70 -80.89 46.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -124.24 -177.13 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.99 -95.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.22 130.53 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.31 160.41 26.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.714 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.29 20.81 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.516 ' CE1' ' OG ' ' A' ' 135' ' ' SER . 97.3 m-85 -117.2 125.54 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 123' ' ' CYS . 13.9 ttmm -122.94 128.79 50.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 122' ' ' LYS . 17.8 t -36.84 124.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.54 -4.93 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.416 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -74.39 122.74 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.93 137.26 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.1 79.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -120.93 142.16 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -122.48 109.16 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -145.39 -176.54 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -153.99 121.52 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -128.19 157.5 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.92 -21.29 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.79 130.31 37.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.516 ' OG ' ' CE1' ' A' ' 121' ' ' PHE . 3.4 m -43.83 -41.85 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -47.98 -55.37 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.7 -52.16 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -45.16 -43.48 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -38.52 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 0.5 OUTLIER -65.35 -19.2 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 42.0 t60 -84.82 -2.26 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.93 -21.77 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.88 -20.4 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -12.29 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.8 m-70 -83.6 -7.65 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.75 -21.69 13.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 t -159.74 168.79 25.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.15 103.84 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.75 125.96 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.8 p -47.27 160.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 152' ' ' PRO . . . 170.91 -62.49 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 151' ' ' GLY . 54.1 Cg_endo -69.7 -37.6 9.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.7 p -51.78 127.01 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 m -82.27 166.46 19.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.471 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -157.42 129.86 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -122.36 174.72 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 -179.53 16.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -174.26 161.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -112.64 178.01 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.03 148.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -105.57 146.3 32.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -167.47 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.28 145.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -83.72 106.5 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -121.08 139.24 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.94 123.45 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mt -97.07 163.97 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 m -146.87 131.07 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.64 116.93 28.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -99.46 98.63 9.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.5 t-105 -107.32 125.9 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -124.02 102.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 51.0 t0 -85.73 114.85 23.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.25 -27.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -109.16 42.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -50.58 175.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -108.36 -17.65 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -130.71 156.78 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -132.64 156.59 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.356 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 27' ' ' PRO . 29.8 mtpt -33.96 107.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.86 157.73 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -84.2 150.74 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.0 137.24 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.06 102.56 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.5 ttt85 -170.46 161.82 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.533 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -149.48 166.77 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 34' ' ' THR . 44.5 m-85 -151.94 170.74 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 p -117.15 -26.34 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -112.21 161.17 16.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.417 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 6.8 tpt -65.29 -55.82 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -48.67 -36.75 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -58.32 -41.98 85.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.5 tp -70.15 -57.15 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.74 -55.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -54.39 -25.75 26.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.7 t60 -83.27 -62.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 31.3 t -54.48 -21.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLY . 21.6 m -93.4 -54.04 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 49' ' ' HIS . 4.5 mtt -88.28 -51.28 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 mt-10 -70.81 4.29 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -142.31 -74.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 63.3 t -69.05 -4.18 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 71.58 -163.87 54.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.38 -169.3 30.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -80.1 -28.63 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -64.69 150.57 46.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.3 t-20 -94.02 -74.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -80.48 119.55 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 1.7 m80 -109.44 112.62 24.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 t -136.9 128.31 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -103.86 116.12 31.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -101.33 97.36 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.7 t-105 -90.68 145.54 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 83.8 tt0 -46.73 -19.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' TRP . 55.4 mt-10 -158.07 33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 2.9 t -49.06 134.79 15.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -24.75 29.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' NE ' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 9.4 mt-10 76.42 32.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.82 38.53 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -99.55 98.75 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 p -48.69 157.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -102.49 -175.65 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -109.46 17.34 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.553 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . . . -178.21 160.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.57 -52.03 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.6 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 54.3 p90 -54.84 -32.68 60.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.6 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 11.9 mmmm -62.28 -40.39 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' CD2' ' CB ' ' A' ' 58' ' ' HIS . 11.3 tp -77.43 -50.8 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.0 t -50.07 -38.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 53.6 m-20 -72.69 -33.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -59.49 -44.3 93.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.2 mt -55.13 -20.55 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 20.6 mmm180 -59.66 -35.0 73.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 m -71.75 -22.12 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -74.83 -22.41 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.417 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 67.8 p -75.65 -68.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.75 53.0 14.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.3 127.84 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -125.81 155.61 72.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.08 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.439 ' O ' ' CD2' ' A' ' 108' ' ' LEU . 0.7 OUTLIER -156.17 120.44 2.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 0.0 110.919 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -165.42 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -93.69 134.97 25.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HG3' ' NZ ' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 -16.5 37.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.05 125.89 91.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 128.06 15.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 84.87 -5.99 80.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 34.5 t -79.9 -32.44 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.4 29.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 9.5 tptm -97.57 138.63 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.3 mt -133.37 156.6 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.5 m-85 -140.5 131.63 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -15.72 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -110.05 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -56.41 -52.34 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.52 -44.95 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -46.86 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 102' ' ' PHE . 1.2 tp -66.34 -51.42 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -54.53 -50.15 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.54 -39.6 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.3 t60 -74.88 -20.52 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.459 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.4 mtpp -82.24 -31.81 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 113' ' ' ARG . 3.5 ptm85 -82.36 -33.74 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.5 t -65.06 -22.81 67.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.77 -43.73 77.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -40.34 160.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.53 -103.61 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -83.01 139.1 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.427 ' CG ' ' HB2' ' A' ' 131' ' ' ARG . 14.2 mmtp -105.88 152.33 40.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -42.18 3.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 84.9 m-85 -98.33 119.33 36.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -119.53 129.47 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.7 t -39.04 118.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.53 -7.28 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.706 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.5 t80 -72.26 122.3 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.62 151.07 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.11 9.08 39.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.62 144.96 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.416 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -122.5 106.36 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.416 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 30.1 mmt180 -150.15 -175.62 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -158.2 139.92 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -146.12 148.78 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -98.04 -14.54 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.57 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -137.59 146.88 44.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 21.3 t -61.34 -26.11 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.2 t -66.0 -46.14 79.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.36 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -58.59 -53.27 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -57.4 -22.57 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -79.03 -21.24 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 46.0 t60 -86.76 -1.02 57.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.9 -20.51 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -56.09 -20.11 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.41 -15.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.706 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.4 m-70 -80.32 -24.11 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.47 164.69 25.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.4 m -84.66 -38.65 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -162.03 175.34 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 150' ' ' SER . 9.7 tptm -154.52 147.42 24.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 149' ' ' LYS . 17.9 m -122.91 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.76 150.47 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.53 6.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.3 m -52.06 112.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.1 p -91.5 -16.73 26.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -149.87 131.43 14.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -106.62 54.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.37 113.68 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.3 m -96.59 175.91 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 80.41 113.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 123.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -103.08 144.06 27.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.697 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.33 34.99 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.1 mt -118.46 143.63 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -89.41 106.23 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -99.68 145.03 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.33 134.83 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 mt -106.72 167.9 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -135.6 152.25 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 t -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -97.62 98.96 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.673 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 17.6 t-105 -107.26 124.92 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mt -124.0 101.04 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -78.28 135.47 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -72.91 -36.79 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.45 35.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -78.87 136.56 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 2.8 tt -81.57 0.12 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -98.9 132.47 44.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.4 tpp85 -139.84 140.43 24.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 164.02 80.31 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.325 -0.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -46.43 133.57 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.07 168.88 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 p -112.91 134.07 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -44.82 137.71 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -107.95 105.12 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -161.27 156.22 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 p -146.68 159.69 43.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -149.37 169.78 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -92.23 -47.15 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -113.26 163.06 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.441 ' SD ' ' CG2' ' A' ' 86' ' ' THR . 16.4 tpp -59.76 -53.86 53.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.98 -41.5 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.43 -46.61 89.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 45' ' ' VAL . 20.0 tp -63.02 -49.75 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.55 -53.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.1 m -50.84 -29.6 12.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 48' ' ' GLU . 34.5 t60 -82.31 -62.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 41' ' ' LEU . 17.7 t -53.8 -21.98 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.7 m -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' HIS . 6.3 mtt -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.8 mm-40 -70.64 3.02 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -141.82 -73.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.4 t -69.69 -2.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.44 175.22 17.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.44 31.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.533 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.32 6.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -115.66 56.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -123.98 131.1 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -51.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -113.32 131.44 55.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' CB ' HD22 ' A' ' 78' ' ' LEU . 9.7 m80 -103.67 107.1 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.3 127.16 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.55 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -101.71 118.0 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -102.61 97.2 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.594 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.57 145.55 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -44.08 -21.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 62' ' ' TRP . 43.5 mt-10 -158.66 33.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.9 t -45.33 134.03 5.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.31 36.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -89.95 -11.88 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 65.0 40.67 5.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.91 60.4 9.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 128.82 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.7 p -58.01 177.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -126.39 179.27 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -77.67 -23.36 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.92 173.88 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -69.55 -57.19 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.431 ' CE1' ' HD3' ' A' ' 77' ' ' LYS . 20.4 p90 -55.32 -17.41 4.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HD3' ' CE1' ' A' ' 76' ' ' TYR . 1.1 mmmp? -72.15 -39.28 68.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' A' ' 58' ' ' HIS . 5.0 tp -78.52 -40.9 33.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.53 -46.53 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -60.9 -37.98 84.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -58.14 -48.89 78.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 3.9 mt -52.64 -25.55 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -63.25 -28.08 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.22 -20.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.594 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.35 -9.29 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.441 ' CG2' ' SD ' ' A' ' 38' ' ' MET . 2.5 p -92.79 -55.86 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 94.93 15.86 43.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.481 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -107.56 114.06 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' CB ' HG21 ' A' ' 101' ' ' ILE . 8.5 mmmt -133.82 147.74 65.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 53.5 Cg_endo -69.83 -51.73 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.274 . . . . 0.0 112.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.27 143.29 13.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.82 135.91 22.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -95.43 132.92 26.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.78 -53.91 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 41.97 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 17.4 t -134.66 -55.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 28.07 56.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 31.4 tptt -94.35 148.96 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.475 HG21 ' CB ' ' A' ' 89' ' ' LYS . 1.9 mt -134.54 146.29 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -130.52 125.77 35.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.82 -15.38 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 106' ' ' GLU . 5.0 ttt180 -109.93 131.07 55.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.0 p -55.05 -60.59 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 104' ' ' ARG . 10.2 mm-40 -47.87 -39.82 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 102' ' ' PHE . 3.7 tp -75.1 -49.17 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -64.01 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.4 mt -76.5 -30.64 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 115' ' ' HIS . 12.0 t60 -79.02 -54.79 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 116' ' ' THR . 16.8 mtpt -47.35 -30.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -83.16 -29.07 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 t -101.08 1.08 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -124.26 -2.37 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -70.69 -53.75 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' THR . . . 37.67 -130.94 1.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -81.04 158.1 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -89.08 156.08 49.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 86.9 m-85 -87.59 95.72 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -109.45 137.85 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 51.7 t -40.63 118.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.33 -9.27 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.16 126.83 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -66.2 156.06 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.15 6.45 13.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.31 143.03 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.59 107.06 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -146.85 170.21 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 137.42 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' PHE . 20.4 m-85 -147.83 159.75 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -112.16 -21.27 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 134' ' ' ASN . 0.1 OUTLIER -129.47 134.12 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.7 t -48.98 -31.97 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.6 m -58.97 -40.5 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -72.95 -40.56 65.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -64.06 -45.16 89.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -22.0 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -77.78 -18.94 55.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -86.42 0.04 54.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.95 -20.53 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -56.23 -20.16 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.95 -12.47 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.665 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.9 m-70 -81.59 -39.15 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 p -123.1 112.86 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.7 p -108.06 87.13 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.44 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -116.84 151.4 36.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -57.54 155.57 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.72 153.63 30.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.7 m -165.25 136.01 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 t -48.41 -62.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -142.59 163.44 32.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -161.25 158.67 27.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.28 164.8 14.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -143.16 157.63 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -133.31 -178.09 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.99 111.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -103.37 145.16 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -165.96 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -93.17 140.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.79 103.58 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -116.99 138.48 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.52 127.81 34.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 11.3 mt -95.97 163.41 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -144.67 140.62 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 101.86 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 98.99 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 17.2 t-105 -107.16 123.96 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -123.91 100.28 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 23' ' ' GLN . 4.0 t0 -71.94 136.88 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 2.5 mt-10 -74.97 -33.38 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.25 39.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.453 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 10.6 pt20 -76.77 147.15 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -91.8 4.74 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.49 132.79 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 1.2 tmm_? -134.95 137.35 27.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 173.64 43.65 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 36.9 mmtt -54.9 118.36 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -105.56 161.01 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -109.06 145.73 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.55 120.9 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -92.03 100.45 13.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HG3' ' CE1' ' A' ' 44' ' ' HIS . 11.0 mmp_? -143.14 164.25 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -153.54 148.26 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 68.0 m-85 -144.76 156.53 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -96.95 -24.12 15.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.3 p -123.23 156.24 35.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.404 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 22.7 tpp -61.37 -55.97 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -44.81 -44.0 9.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 8.0 mm-40 -54.92 -48.23 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 25.4 tp -61.81 -52.09 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -54.04 -52.89 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -27.75 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.4 t60 -83.07 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.425 HG12 ' CG2' ' A' ' 82' ' ' ILE . 15.6 t -54.16 -21.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.6 m -92.98 -56.61 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.405 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.3 mtt -87.77 -49.84 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.9 mm-40 -70.76 3.88 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.748 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.3 m-70 -143.06 -73.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.6 t -69.65 -2.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 63.92 -159.83 39.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.99 -162.47 24.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.21 34.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.61 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.529 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.89 149.51 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -94.66 -70.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.458 ' ND2' HG23 ' A' ' 59' ' ' VAL . 50.5 t30 -83.7 114.83 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' CB ' HD21 ' A' ' 78' ' ' LEU . 26.2 m80 -107.3 106.42 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.458 HG23 ' ND2' ' A' ' 57' ' ' ASN . 42.1 t -134.14 133.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.94 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 37.4 m-85 -100.9 97.34 7.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.709 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.48 145.46 24.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.32 -22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' TRP . 21.2 pt-20 -159.63 32.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.486 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.8 t -42.81 134.03 2.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -14.95 36.66 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 5.7 mmp_? -90.31 -33.85 15.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 74.02 40.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' SER . . . 87.14 -23.21 11.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLY . 4.8 tmtm? -38.05 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLY . 37.2 t -59.59 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.7 m-85 -136.04 13.87 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm 44.69 24.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . . . -152.29 168.03 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -92.71 -58.69 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.646 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 39.5 p90 -59.95 -12.33 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.646 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.9 mmmt -83.87 -40.98 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 58' ' ' HIS . 10.0 tp -82.16 -39.98 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.07 -45.61 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -27.44 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.67 -48.07 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.425 ' CG2' HG12 ' A' ' 45' ' ' VAL . 2.5 mt -51.93 -23.08 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -57.07 -32.02 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 m -74.56 -23.75 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.709 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -70.86 -13.46 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 11.9 p -86.89 -62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 47.62 55.38 9.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -72.4 116.34 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -136.03 152.62 75.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 53.5 Cg_endo -69.76 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -156.15 120.41 2.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.08 135.23 30.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -21.17 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CB ' ' NE2' ' A' ' 115' ' ' HIS . 2.1 t80 -67.96 127.79 93.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.42 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.62 -5.16 85.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 37.3 t -80.06 -32.24 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 37.67 27.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 20.1 tptt -94.67 141.27 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 mt -134.94 152.56 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.2 m-85 -138.06 121.71 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.56 -11.59 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -110.09 131.09 55.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -63.29 -36.84 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -71.3 -28.05 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.48 -39.96 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.99 -52.77 54.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 10.8 ptmt -59.33 -45.29 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 69.8 mt -66.98 -25.62 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.599 ' CE1' ' CG ' ' A' ' 115' ' ' HIS . 4.5 t60 -79.91 -55.84 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 116' ' ' THR . 5.6 mtpm? -44.95 -36.9 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -77.15 -27.77 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 111' ' ' HIS . 1.6 t -101.51 1.32 37.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.599 ' CG ' ' CE1' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -125.11 -53.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -61.17 -19.83 62.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.1 -25.75 72.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -107.18 158.35 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -91.04 155.23 45.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.33 37.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.226 . . . . 0.0 112.327 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -130.55 99.27 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 123' ' ' CYS . 24.2 ttpt -112.99 136.01 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' LYS . 41.3 t -35.36 111.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.29 -8.62 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.485 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -72.17 130.57 41.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.59 4.78 81.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.0 t -109.33 144.09 37.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -123.32 108.02 12.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -147.66 -179.39 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -147.43 133.9 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.03 160.26 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.36 -9.24 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.02 132.59 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 t -49.01 -32.04 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -60.47 -54.6 43.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.8 -42.39 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -62.29 -49.79 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.45 -23.04 66.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 5.8 mtpm? -78.58 -18.68 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.6 t60 -85.53 -2.28 57.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.75 -22.0 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.88 -20.92 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.6 -14.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.485 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.2 m-70 -79.55 -0.48 33.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -53.57 -52.27 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.2 t -129.57 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.45 132.09 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -65.1 -9.79 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 p -89.75 172.23 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.81 75.68 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.63 65.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 t -146.96 152.31 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 t -75.08 133.73 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.487 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -170.93 140.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -107.62 159.96 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.07 156.58 22.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -119.37 115.99 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -55.52 173.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 154.16 24.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.26 142.68 26.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -98.8 134.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -87.88 116.2 25.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -100.12 140.1 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -90.61 127.38 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -101.97 166.41 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -134.16 138.38 45.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.91 97.51 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -89.17 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.17 126.3 52.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.482 ' CD1' ' CD ' ' A' ' 63' ' ' GLU . 1.8 mt -123.57 103.79 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.85 128.82 34.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.49 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 5.4 mt-10 -65.69 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.46 26.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.59 129.56 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.01 -6.13 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -80.49 132.22 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 10.8 tpt85 -138.08 132.63 17.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 176.52 32.27 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.352 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.5 118.3 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -109.83 146.37 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 p -90.26 144.7 25.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 150.44 22.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.55 135.64 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -172.83 161.18 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.5 p -137.32 151.0 48.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -148.59 158.71 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -87.55 -38.47 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -124.76 164.35 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.475 ' SD ' ' CG2' ' A' ' 86' ' ' THR . 20.9 tpp -59.51 -54.43 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -55.63 -43.37 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' A' ' 45' ' ' VAL . 10.8 tp -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.79 -51.81 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.4 m -50.04 -29.08 8.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' GLU . 34.8 t60 -82.77 -62.79 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.517 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 17.0 t -53.9 -21.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 10.2 m -93.11 -56.87 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.404 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.6 mtt -86.94 -50.07 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 44' ' ' HIS . 51.3 mm-40 -70.87 3.4 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.596 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.1 m-70 -142.03 -73.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.3 t -70.09 -2.7 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.63 -169.12 45.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.25 -162.27 34.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.46 30.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.01 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -41.66 121.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.57 -75.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.09 106.32 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -105.79 123.08 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.03 138.23 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.85 116.02 29.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.49 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 36.8 m-85 -102.08 97.09 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.748 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.45 145.46 24.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CD ' ' CD1' ' A' ' 19' ' ' ILE . 6.1 tp10 -43.62 -21.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.6 mm-40 -159.55 34.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.2 t -45.65 133.87 6.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -20.02 35.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -89.8 -14.2 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 69.58 33.91 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.32 18.53 73.42 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 123.85 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -62.17 173.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.89 -175.62 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.81 -6.69 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.49 167.82 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 15.3 tppt? -70.32 -58.36 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -54.61 -22.68 14.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 77' ' ' LYS . 1.8 mmpt? -66.61 -40.06 88.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 58' ' ' HIS . 8.3 tp -78.13 -46.37 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.88 -40.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.07 -31.34 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.34 -48.71 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.517 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.1 mt -55.56 -21.87 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -63.32 -22.1 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 m -85.33 -20.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.748 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 3.3 m-70 -69.95 -12.31 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.475 ' CG2' ' SD ' ' A' ' 38' ' ' MET . 16.8 p -76.45 -55.76 5.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.25 -21.96 18.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.63 124.47 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 89' ' ' LYS . 2.5 mppt? -130.35 152.81 80.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.545 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 54.5 Cg_endo -69.72 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.25 . . . . 0.0 112.4 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -156.46 137.07 9.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' O ' ' CD2' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.75 -168.64 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.98 135.35 30.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.15 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.2 t80 -69.16 133.6 89.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.578 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.64 40.97 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.1 t -136.01 -52.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 50.15 28.47 13.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 7.5 tptm -91.78 151.28 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.46 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 3.0 mt -139.82 156.15 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -138.88 153.37 48.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.81 -11.96 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -111.06 138.05 47.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -70.18 -36.33 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 3.7 tt0 -71.2 -24.16 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.61 -40.78 66.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 91' ' ' PHE . 3.4 tp -70.13 -52.18 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -54.5 -35.67 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 106' ' ' GLU . 96.7 mt -81.48 -28.81 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 7.4 t60 -81.86 -23.08 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.95 -29.02 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.07 -24.62 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 7.6 t -75.84 1.42 15.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' THR . 30.9 m-70 -92.25 36.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.8 m 85.65 113.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.03 -27.24 2.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -95.55 158.22 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -88.75 144.57 33.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.76 29.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.28 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 94.3 m-85 -134.39 95.13 3.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -113.05 137.67 51.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.97 118.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.47 -2.64 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.406 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.14 130.7 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.8 139.11 48.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 75.04 17.75 80.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.86 144.74 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.81 106.03 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -151.23 174.0 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 142.77 22.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -148.41 163.62 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -111.7 -21.92 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.491 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -126.67 132.56 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.427 ' HA ' ' CD1' ' A' ' 121' ' ' PHE . 1.1 t -43.98 -52.62 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -40.13 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -54.69 -47.25 73.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -67.41 -18.88 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -83.86 -18.46 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.7 t60 -86.69 0.28 54.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -88.03 -21.19 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -55.17 -21.16 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.28 -12.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.406 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 -84.25 -15.22 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.8 m -80.23 -37.15 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 149' ' ' LYS . 16.9 t -146.12 113.22 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.54 79.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 147' ' ' SER . 14.1 tptm -151.6 121.27 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.7 t -42.08 108.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.08 153.44 17.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.45 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.5 m -120.66 134.25 55.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.2 t -102.58 142.31 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -111.01 128.2 55.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -170.32 166.59 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.4 66.24 0.52 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -139.15 149.06 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -56.06 -176.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.28 106.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -104.68 152.9 39.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -167.29 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.7 mt -95.24 140.24 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -86.07 113.81 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -110.45 136.57 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.57 129.37 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.44 157.01 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -125.02 142.77 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.24 100.24 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 2.8 mmmm -93.86 98.69 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.733 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.2 t-105 -107.04 123.2 47.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.401 ' CD1' ' HG3' ' A' ' 63' ' ' GLU . 3.8 mt -119.24 112.68 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 17.4 t70 -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.92 -28.63 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.39 24.44 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' OE1' ' CD ' ' A' ' 28' ' ' LYS . 1.9 pt20 -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.59 12.47 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.98 121.05 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.3 mmt-85 -123.95 148.33 56.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.84 147.37 84.67 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.337 0.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 23' ' ' GLN . 32.8 mttp -33.26 107.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.03 -177.97 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -113.55 148.92 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.32 160.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -118.1 117.88 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 20.5 tpt85 -173.84 154.56 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -140.76 156.44 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -150.45 154.41 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -96.71 -31.24 12.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -117.26 163.13 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.2 tpp -63.95 -56.05 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -43.98 -46.86 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.09 -44.16 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.57 -49.06 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.33 -52.71 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 m -50.11 -25.72 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.3 t60 -83.21 -62.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 20.9 t -54.27 -21.85 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.7 m -93.02 -56.18 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.405 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.3 mtt -88.18 -49.81 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' HIS . 41.4 mm-40 -70.74 3.92 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.733 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.16 -74.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.2 t -69.24 -3.1 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.29 -161.78 50.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.491 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.21 -158.28 34.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -51.09 -24.34 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.97 103.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.43 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.57 98.77 8.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 108.66 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.625 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 14.0 t -135.83 141.27 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.53 113.73 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.625 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 5.0 m-85 -112.31 97.53 6.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.8 t-105 -91.0 146.47 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' TRP . 82.8 tt0 -37.7 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.6 pp20? -148.32 48.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.55 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 53.0 t -84.11 136.02 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -24.67 29.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 19.9 mmm180 -67.09 -34.15 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 53.38 21.95 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 114.48 -23.58 12.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -49.1 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -59.19 -175.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 55.4 m-85 -119.06 164.09 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.59 -11.06 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.16 171.89 16.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -53.72 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.558 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 30.8 p90 -54.5 -30.67 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.558 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 11.9 mmmm -64.6 -40.96 96.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 8.3 tp -77.71 -54.97 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.0 t -44.2 -47.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.49 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 67' ' ' ARG . 3.9 t60 -61.75 -33.6 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.53 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 4.5 mt -63.42 -31.21 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -60.35 -15.7 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 81' ' ' HIS . 3.2 m -82.57 -11.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -96.24 -12.04 25.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 88' ' ' GLU . 2.3 p -77.32 -76.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.94 -0.17 3.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -67.64 149.41 50.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' CB ' HG22 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -95.85 160.28 30.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -52.21 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.563 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.66 138.69 10.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.736 . . . . 0.0 110.848 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.74 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -90.76 133.81 31.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.41 4.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -94.85 127.84 41.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.5 13.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.46 -4.78 85.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 100' ' ' LYS . 19.9 t -81.85 -27.26 33.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.5 28.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 21.7 tptt -98.26 146.82 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -141.8 148.46 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -131.25 123.81 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.38 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -110.03 131.35 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 -39.9 96.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -64.19 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.46 -36.97 79.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.3 tp -66.69 -50.97 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -55.76 -49.68 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 78.9 mt -64.39 -25.84 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.52 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 73.3 t60 -81.91 -31.35 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.6 -36.35 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 8.0 ptp180 -58.51 -36.56 74.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 14.6 t -72.99 -23.15 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 116' ' ' THR . 5.8 m-70 -70.61 -6.61 38.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 115' ' ' HIS . 4.3 t 44.04 30.05 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 38.76 51.16 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -120.98 128.3 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -99.07 143.65 26.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.523 0.678 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.444 ' HB2' ' CD1' ' A' ' 121' ' ' PHE . 53.6 Cg_endo -69.75 -44.26 2.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 120' ' ' PRO . 51.2 m-85 -127.81 129.73 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -122.93 130.36 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.2 t -41.13 127.25 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.66 -7.18 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.4 t80 -71.11 121.32 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 140.54 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.41 22.21 74.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.555 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 12.3 t -119.86 138.19 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.421 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 17.0 t70 -117.14 105.99 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 16.1 mmm180 -151.76 175.15 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -143.7 138.36 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -138.25 153.53 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.22 -7.75 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER -138.28 130.46 28.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.3 p -51.94 -23.09 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.6 m -74.61 -45.11 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 10.4 m-20 -63.84 -40.51 96.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -58.59 -57.9 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.45 -19.39 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.586 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.9 mttp -81.47 -19.39 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.9 t60 -84.74 -1.88 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.8 -22.51 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.84 -21.33 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.91 -14.73 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.596 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 -79.54 -26.84 41.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 147' ' ' SER . 0.5 OUTLIER -75.43 58.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 146' ' ' THR . 0.9 OUTLIER 36.22 46.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -135.22 168.32 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -134.38 136.98 43.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 t -124.4 171.01 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -133.79 -173.33 13.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 170.27 16.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -132.5 87.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 155' ' ' GLY . 2.4 m -102.01 -55.29 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 154' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -106.01 -50.58 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -46.89 -43.89 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.42 -170.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -79.55 166.18 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -146.81 116.13 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.65 -132.73 2.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -87.33 148.9 45.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -109.29 140.33 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.58 124.32 34.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -108.29 136.64 47.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.06 133.83 34.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD2' ' OE2' ' A' ' 88' ' ' GLU . 10.4 mt -99.3 163.39 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -132.47 147.51 52.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.0 t -143.53 105.36 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -100.14 98.76 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.4 t-105 -107.15 123.9 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mt -122.93 111.77 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -88.71 138.12 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.56 -27.16 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.97 14.92 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -80.32 154.98 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.87 -3.69 18.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.49 129.28 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.1 tpt180 -138.03 139.94 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.74 139.21 53.22 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' PRO . 17.9 mttm -34.43 131.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 27' ' ' PRO . 5.2 mmmt -114.25 176.48 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -111.8 147.79 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.86 131.77 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -95.17 109.65 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.7 ttt85 -176.72 164.07 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 1.1 p -152.78 168.33 26.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 34' ' ' THR . 45.2 m-85 -152.83 170.07 21.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -117.62 -17.85 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 16.2 p -120.42 159.19 25.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.449 ' CE ' HD23 ' A' ' 41' ' ' LEU . 8.7 tpt -63.84 -56.01 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -45.49 -36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 5.7 mm-40 -60.48 -47.32 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 HD23 ' CE ' ' A' ' 38' ' ' MET . 45.1 tp -63.29 -56.56 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.2 t -54.86 -52.59 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -55.98 -26.73 49.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.0 t60 -83.03 -62.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 82' ' ' ILE . 60.8 t -54.52 -21.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.1 m -93.0 -56.26 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.412 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.1 mtt -88.12 -49.88 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 44' ' ' HIS . 7.9 mm-40 -70.82 4.08 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.17 -73.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.6 t -69.84 -2.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.48 -164.06 48.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.536 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.11 -158.83 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 53.2 Cg_endo -69.81 -19.94 35.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 55' ' ' GLN . 3.7 tp10 -64.11 -62.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -36.23 119.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -75.28 -73.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -79.98 95.38 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.71 128.89 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 9.6 t -141.94 136.87 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.23 115.17 28.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.0 m-85 -112.42 97.52 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.4 t-105 -90.88 146.78 23.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' TRP . 15.3 tt0 -36.69 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' TRP . 51.4 mm-40 -147.15 48.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.556 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 48.5 t -86.89 136.04 34.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -25.63 28.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.539 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 24.6 mmm180 -66.49 -20.06 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER 34.43 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.524 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 98.64 30.76 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' ARG . 11.3 mmmt -98.52 95.73 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -62.64 163.36 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.51 161.13 15.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 5.2 ttpm? -78.75 5.83 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . . . -163.82 158.73 20.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.11 -60.29 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 55.3 p90 -50.97 -19.72 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -79.0 -40.88 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.06 -36.56 40.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.409 HG13 ' NH1' ' A' ' 83' ' ' ARG . 70.3 t -60.4 -58.21 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 76' ' ' TYR . 80.9 m-20 -53.36 -27.6 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 67' ' ' ARG . 2.8 t60 -67.78 -36.9 81.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CG2' HG13 ' A' ' 45' ' ' VAL . 6.9 mt -61.61 -26.26 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 83' ' ' ARG . 2.0 mpt_? -49.7 -39.78 38.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.49 -24.17 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.7 1.27 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.3 p -129.45 -58.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 57.84 23.56 51.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' OE2' ' CD2' ' A' ' 14' ' ' LEU . 56.8 tt0 -107.84 131.69 54.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 89' ' ' LYS . 2.6 mppt? -135.57 152.96 77.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -156.02 142.12 13.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -90.23 135.7 29.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.429 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 1.48 4.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.8 t80 -95.67 132.7 26.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.94 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 42.61 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 33.9 t -132.57 -59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.91 27.15 70.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.531 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 6.7 tptm -94.38 151.02 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 4.6 mt -140.44 154.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -136.99 134.79 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.45 0.01 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -125.28 131.11 53.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.1 p -61.63 -47.09 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -29.9 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.58 -51.17 61.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 91' ' ' PHE . 50.6 tp -54.72 -53.98 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.17 -48.49 64.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.21 -25.22 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.456 ' CE1' ' CB ' ' A' ' 115' ' ' HIS . 42.6 t60 -79.98 -43.79 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 5.9 mtpm? -57.03 -31.29 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -81.57 -24.23 36.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 t -101.22 -8.14 22.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.456 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -130.88 -44.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 116' ' ' THR . 53.5 m -96.21 67.2 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -120.3 -49.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.9 157.12 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -90.83 144.28 30.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -41.34 4.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.2 106.79 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -115.97 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.7 t -39.5 110.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.45 -11.33 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 145' ' ' HIS . 4.5 t80 -72.0 122.17 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 152.93 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.76 8.87 42.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.65 143.58 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -124.58 107.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -144.39 -177.31 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -149.94 126.71 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -136.72 160.82 37.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.91 -10.8 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.85 135.84 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -50.91 -27.86 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 m -66.4 -55.58 15.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.34 -42.42 77.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.85 -47.94 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -65.19 -17.75 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.12 -20.36 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 45.3 t60 -89.0 -2.4 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.96 -20.99 25.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -56.11 -20.19 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.17 -16.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 125' ' ' PHE . 21.1 m-70 -76.87 -41.47 43.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.18 158.62 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m -68.72 101.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -167.52 134.13 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 93.75 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -126.98 179.75 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 121.66 81.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -17.92 37.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.8 p -164.13 168.81 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.6 t -112.05 136.37 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -127.02 59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -117.81 55.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.2 -151.42 26.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -123.42 133.79 54.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -86.15 121.82 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.23 57.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' N ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -94.94 145.73 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -167.48 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.2 mt -107.38 128.0 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -109.67 136.13 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -95.68 119.73 34.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' CD ' ' N ' ' A' ' 14' ' ' LEU . 1.6 tp10 -82.62 131.49 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 13' ' ' GLU . 3.1 mt -125.27 159.31 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 p -134.08 127.83 32.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -100.3 91.93 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -81.71 98.71 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.663 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.9 t-105 -107.03 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mt -120.79 100.27 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.27 128.88 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 6.9 mt-10 -69.61 -29.82 67.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.21 33.3 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.39 122.78 25.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 2.0 tt -75.38 3.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.17 130.43 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 19.8 mmm-85 -133.98 155.87 79.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.8 155.12 93.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.383 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -48.75 110.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.17 136.09 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.29 122.26 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -97.24 125.74 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -177.75 161.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.5 p -137.26 159.4 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 m-85 -143.66 147.15 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -82.77 -22.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.1 171.66 13.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.449 ' SD ' ' CG2' ' A' ' 86' ' ' THR . 17.1 tpp -69.74 -55.91 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -46.87 -37.18 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.57 -34.98 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 10.1 tp -77.95 -51.1 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -51.77 -55.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -46.99 -30.85 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 39.0 t60 -80.28 -62.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 82' ' ' ILE . 13.0 t -54.23 -21.76 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -93.12 -56.59 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.401 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.8 mtt -87.73 -49.88 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 47.6 mm-40 -70.76 3.79 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.663 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.78 -73.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.8 t -70.08 -2.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 51.89 176.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -161.09 7.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.83 34.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.41 -15.4 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.538 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -86.92 106.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -55.87 -73.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.75 106.96 18.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 2.7 p-80 -107.42 121.88 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.45 136.54 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.558 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -105.1 117.53 34.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CD1' ' HG3' ' A' ' 21' ' ' GLU . 49.0 m-85 -103.56 97.22 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.5 t-105 -90.32 145.29 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -44.71 -21.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 5.1 tt0 -158.44 33.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 3.4 t -46.95 134.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -18.95 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.98 -13.45 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 63.03 37.49 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.9 64.18 4.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -112.04 136.09 51.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 p -61.66 168.62 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE1' HD13 ' A' ' 78' ' ' LEU . 31.3 m-85 -122.12 -179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.18 -6.56 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.85 176.87 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -76.41 -58.41 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -52.34 -19.71 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -72.41 -38.72 68.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 18.9 tp -82.04 -44.26 16.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.46 -41.87 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -67.81 -35.41 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -58.95 -52.43 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG2' HG11 ' A' ' 45' ' ' VAL . 3.2 mt -51.07 -18.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -66.19 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 85' ' ' HIS . 4.4 m -72.13 -21.97 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.551 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -69.14 -11.25 60.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.449 ' CG2' ' SD ' ' A' ' 38' ' ' MET . 7.2 p -104.74 -44.83 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.51 20.43 66.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -107.53 114.74 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -95.88 153.0 39.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 53.5 Cg_endo -69.73 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -132.19 143.46 49.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -168.75 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -91.62 135.88 27.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.47 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.1 t80 -94.1 133.51 27.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.78 -53.84 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.88 37.41 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.6 t -134.63 -66.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.89 70.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 8.5 tptm -89.77 148.53 23.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.09 150.44 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 5.6 m-85 -134.15 139.22 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' HA ' ' CD ' ' A' ' 90' ' ' PRO . . . -75.66 -18.34 59.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -110.88 131.5 55.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -61.08 -46.22 91.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.13 -33.23 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.44 -32.04 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HG ' ' CD ' ' A' ' 112' ' ' LYS . 2.1 tp -73.05 -51.36 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -56.56 -48.3 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 96.9 mt -64.38 -35.39 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.554 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 21.1 t60 -79.06 -21.66 46.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 13.8 mtpt -77.65 -29.36 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 12.2 ptm180 -75.74 -28.28 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 10.7 t -70.93 -6.74 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -84.52 10.09 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -105.79 -5.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -99.06 -49.4 1.6 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -88.72 131.38 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' CG ' ' CB ' ' A' ' 131' ' ' ARG . 11.3 mmmt -100.21 143.91 27.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.5 m-85 -75.76 114.38 14.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -116.13 133.84 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' LYS . 38.7 t -36.05 125.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.65 -5.81 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.611 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -72.68 122.56 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 6.0 tp10 -65.07 134.06 52.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 84.08 12.08 77.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 t -118.37 144.95 45.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.73 108.09 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -146.16 179.95 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.41 ' CB ' ' CG ' ' A' ' 119' ' ' LYS . 6.2 mtp85 -151.01 137.68 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 121' ' ' PHE . 14.2 m-85 -153.16 160.17 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.24 -7.54 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.424 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.2 OUTLIER -139.92 142.96 36.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 t -57.53 -35.86 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -55.9 -40.71 73.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.0 -47.58 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -60.24 -34.99 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -76.15 -24.79 54.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -74.83 -19.35 60.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -89.07 -1.1 57.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -87.93 -20.9 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -55.26 -21.07 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.39 -13.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.611 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.6 m-70 -82.45 -15.17 53.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.63 168.22 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.8 t -60.84 135.5 57.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -154.72 156.11 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.49 -30.5 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.4 t -172.66 111.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.41 ' N ' ' CD ' ' A' ' 152' ' ' PRO . . . -169.36 55.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 151' ' ' GLY . 54.2 Cg_endo -69.67 109.11 2.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.412 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 m -65.81 125.87 26.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.8 m -58.32 101.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.478 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 70.5 34.99 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -39.86 133.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.06 48.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -48.15 153.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -84.42 103.44 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.61 -175.74 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -110.39 146.04 33.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.68 63.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.42 113.11 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -84.53 103.63 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -115.4 132.0 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -92.69 129.44 38.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 41' ' ' LEU . 11.5 mt -97.29 167.62 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -146.83 130.42 16.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 101.98 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -88.22 98.78 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.683 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.6 t-105 -107.08 117.15 33.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.65 100.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 21' ' ' GLU . 4.4 t0 -71.29 135.77 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 1.9 pt-20 -77.06 -41.31 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.33 18.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.77 138.85 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.08 5.45 51.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.6 128.0 35.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -129.75 131.86 23.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.72 173.13 45.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -60.68 118.34 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -105.67 151.85 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -100.09 163.08 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -61.7 154.87 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t0 -121.81 112.43 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -169.39 161.21 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -147.35 158.14 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 56.4 m-85 -151.69 170.08 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -112.56 -22.87 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -125.32 154.37 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.438 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 17.6 tpp -57.62 -55.9 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -43.35 -43.19 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 39.7 mm-40 -59.26 -44.74 92.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.434 HD13 ' CG2' ' A' ' 45' ' ' VAL . 17.4 tp -65.93 -53.24 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.3 -58.68 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -48.63 -30.81 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' GLU . 25.5 t60 -79.4 -62.7 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.438 ' CG1' HG22 ' A' ' 82' ' ' ILE . 35.5 t -54.89 -21.07 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' GLY . 11.2 m -93.57 -54.22 3.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.407 ' C ' ' H ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -88.46 -51.11 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.6 mt-10 -70.61 3.77 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 8.7 m-70 -141.65 -73.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 56.0 t -71.02 -3.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 74.86 -179.13 45.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.5 -161.79 36.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -104.93 45.02 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -137.94 137.9 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -89.04 -75.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.75 98.55 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.424 ' CD2' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -107.16 126.44 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.0 137.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.539 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -106.95 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m-85 -102.73 97.19 7.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.522 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.53 145.58 24.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -44.13 -21.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 62' ' ' TRP . 2.4 mt-10 -158.68 33.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.1 t -45.4 134.37 5.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -26.32 27.66 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -85.9 -22.99 27.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 70.01 28.35 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.64 62.65 3.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.82 103.4 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 p -39.2 147.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 70.1 m-85 -103.65 -176.2 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -98.81 -11.51 21.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . . . -158.51 172.28 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -58.17 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.484 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 31.8 p90 -54.94 -18.02 4.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.484 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 12.0 mmmm -74.53 -38.29 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 13.3 tp -83.98 -42.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.0 -46.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.9 OUTLIER -56.72 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 3.1 t60 -62.43 -47.43 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' CG1' ' A' ' 45' ' ' VAL . 3.4 mt -54.58 -17.12 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mmm-85 -69.94 -32.57 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 85' ' ' HIS . 4.0 m -72.03 -20.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.522 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.1 m-70 -70.96 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.438 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 19.9 p -103.58 -61.33 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.69 27.05 7.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.18 136.62 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.467 ' CB ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -134.89 156.6 78.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 54.2 Cg_endo -69.74 -52.23 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -156.45 140.73 11.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.73 -171.28 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.264 . . . . 0.0 112.365 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -89.92 136.08 29.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.4 t80 -94.76 133.93 25.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.07 46.81 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.4 t -136.79 -48.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.14 28.8 19.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 19.7 tptt -95.66 153.61 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.536 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 3.4 mt -143.69 159.8 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -143.51 131.69 21.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HA ' ' CD ' ' A' ' 90' ' ' PRO . . . -70.41 -10.39 58.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -110.28 132.56 54.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.7 p -67.96 -35.45 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.8 -20.97 55.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -81.57 -38.86 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.451 HD22 ' CD1' ' A' ' 91' ' ' PHE . 10.7 tp -65.22 -52.66 53.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 5.0 ptpt -55.39 -49.22 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 88.8 mt -55.05 -33.92 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.698 ' CE1' ' CB ' ' A' ' 115' ' ' HIS . 6.3 t60 -77.07 -54.14 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 116' ' ' THR . 10.0 mtpt -46.05 -28.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 5.5 ptm180 -86.12 -28.9 23.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' HIS . 1.2 t -101.38 1.41 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.698 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -121.69 -1.77 9.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 112' ' ' LYS . 9.8 t -98.33 -35.09 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.94 -14.42 16.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.2 138.19 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 151.06 37.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.97 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -110.57 108.64 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.2 ttpp -116.73 127.89 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 122' ' ' LYS . 43.8 t -36.4 117.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -72.84 -5.33 37.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.527 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.0 t80 -72.5 121.95 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.1 153.55 29.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.85 16.84 53.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.63 143.18 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -124.96 105.94 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 3.8 mmm180 -142.61 179.79 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -151.63 125.41 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 9.3 m-85 -132.75 163.61 28.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.86 -15.03 10.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.541 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.4 141.54 39.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t -48.2 -53.94 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.1 m -41.24 -54.82 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.32 -52.52 61.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.496 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 13.3 ttp180 -54.58 -42.82 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -68.94 -26.84 65.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.7 mtpp -75.14 -19.13 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 65.3 t60 -85.42 -1.67 57.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.85 -23.22 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.63 -20.81 8.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.51 -15.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.527 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 -80.62 -0.78 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 60.3 p -90.7 -73.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 148' ' ' ASP . 1.5 p -114.42 -69.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 147' ' ' SER . 4.8 t70 -35.81 126.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -132.64 153.4 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 151' ' ' GLY . 13.5 p -170.46 150.16 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 150' ' ' SER . . . -32.9 96.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 150' ' ' SER . 53.5 Cg_endo -69.75 -27.89 25.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.322 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.7 t -87.18 83.56 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 41.4 m -50.42 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.509 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -149.05 135.37 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -137.4 133.64 35.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.27 67.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -141.9 114.05 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -152.82 -177.61 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.47 150.66 21.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.19 144.28 28.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mt -90.98 114.9 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -100.27 127.25 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -90.14 144.83 25.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.52 131.58 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 37' ' ' THR . 4.5 mt -104.15 163.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -127.76 140.82 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.19 92.83 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -86.23 98.97 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 20.1 t-105 -107.33 122.5 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 5.4 mt -122.66 99.21 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.2 t70 -74.5 104.04 5.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 4.8 pt-20 -35.71 -36.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -101.24 46.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -54.87 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 24' ' ' LEU . 1.9 tm? -123.91 1.71 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.29 174.03 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 8.1 mmt85 -149.94 132.92 8.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.75 -179.44 19.16 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.316 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' CB ' ' NZ ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -56.93 131.87 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -114.31 144.15 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.51 162.46 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 128.11 34.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 92.73 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -131.88 163.43 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.6 p -149.29 158.69 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 70.1 m-85 -151.01 171.01 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.6 m -107.35 -12.64 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.427 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 72.8 p -138.3 169.6 17.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 tpp -69.89 -55.91 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -48.66 -47.71 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.89 -32.95 22.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' CD1' HG23 ' A' ' 45' ' ' VAL . 18.6 tp -77.93 -47.52 18.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.58 -56.68 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.1 m -47.55 -31.79 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' GLU . 34.7 t60 -80.45 -62.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 82' ' ' ILE . 42.9 t -53.86 -21.98 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.8 m -93.09 -56.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.408 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.3 mtt -87.55 -49.91 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 44' ' ' HIS . 18.7 mm-40 -70.54 3.31 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.46 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.5 t -69.96 -2.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 65.72 -157.77 47.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.29 -165.24 20.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -2.49 10.23 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.83 -23.67 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 109.41 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -50.5 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -83.22 112.51 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' H ' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -100.47 109.71 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.91 138.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.03 113.13 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -98.65 97.16 8.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.57 145.37 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.97 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.3 mm-40 -158.82 33.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.0 t -47.02 134.36 8.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.24 11.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.502 HH21 ' CD2' ' A' ' 81' ' ' HIS . 5.5 mtm105 -101.26 -28.4 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 8.7 mt-10 79.13 26.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.43 56.23 5.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' CE ' ' HA ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -108.38 104.42 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -43.97 159.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -105.67 -175.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -95.88 -1.5 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.28 -174.82 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -81.7 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 35.9 p90 -51.72 -27.89 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 13.9 mmmm -67.64 -31.85 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.1 tp -86.02 -46.78 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.08 -42.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CD2' HH21 ' A' ' 67' ' ' ARG . 2.3 t60 -62.78 -46.29 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.433 ' CG2' HG13 ' A' ' 45' ' ' VAL . 2.9 mt -54.39 -19.5 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.31 -16.03 63.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 m -88.36 -23.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.682 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.42 -5.35 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 88' ' ' GLU . 41.0 p -107.62 -4.76 17.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.87 14.81 3.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 86' ' ' THR . 20.5 tt0 -81.37 123.54 28.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -97.42 153.06 38.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.711 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 53.7 Cg_endo -69.81 -51.37 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.736 2.29 . . . . 0.0 112.306 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.8 OUTLIER -156.29 128.99 4.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -169.12 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.383 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -90.38 136.13 28.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.459 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.72 3.75 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.466 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.7 t80 -107.76 126.46 29.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.71 -52.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.79 -2.74 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -99.26 -50.19 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.87 29.01 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 33.5 tptt -94.46 152.18 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 7.1 mt -135.12 137.95 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.579 ' CZ ' ' CD2' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -121.84 160.06 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.69 -14.3 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -114.94 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.58 -47.52 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.33 -34.31 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -67.53 -45.44 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 102' ' ' PHE . 9.5 tp -65.7 -55.56 16.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' CB ' ' NZ ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -50.6 -43.55 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 95.1 mt -72.15 -31.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.579 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 27.1 t60 -80.95 -20.96 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.459 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.3 mtpm? -78.82 -36.31 42.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -64.58 -17.01 63.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 6.9 t -90.29 -7.35 53.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -79.98 -48.53 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.7 t -50.05 169.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.97 -94.86 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -95.91 146.35 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.98 0.419 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.12 143.95 31.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -35.94 11.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 135' ' ' SER . 40.9 m-85 -104.13 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -122.44 135.25 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.82 114.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.51 -4.59 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.502 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -73.25 125.92 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -68.74 134.55 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.54 11.05 82.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.56 143.85 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 50.5 t0 -122.36 106.07 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.413 ' C ' ' HG2' ' A' ' 131' ' ' ARG . 18.4 mmt180 -146.61 165.17 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -137.13 127.71 26.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.42 152.09 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.34 -24.37 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -125.43 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 80.4 p -51.95 -48.77 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.4 t -40.88 -48.27 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.78 -49.13 78.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.55 -37.1 72.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.77 -22.25 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -80.76 -21.19 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.0 t60 -86.03 -1.22 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.6 mmt -87.86 -21.17 25.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -55.29 -20.78 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.29 -14.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.502 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.5 m-70 -81.8 -36.61 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.2 m -77.45 -47.33 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 t -56.55 164.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -123.87 4.82 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -111.55 152.37 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -77.14 115.91 17.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.42 -169.21 12.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.28 53.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.392 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 21.5 t -126.15 59.95 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.9 t -71.73 -42.4 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.492 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -128.39 151.23 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -50.48 133.77 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 -112.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 -54.61 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 43.79 29.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.72 137.59 4.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.63 148.81 39.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -163.95 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.14 136.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -108.0 134.15 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.28 132.04 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -93.72 133.84 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -93.78 167.31 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -131.87 128.22 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.17 104.84 10.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -101.69 98.9 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.8 t-105 -107.09 111.34 23.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 28' ' ' LYS . 4.8 mt -114.57 102.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' OD2' ' CB ' ' A' ' 22' ' ' ALA . 28.5 t70 -78.12 114.85 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.31 -24.38 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' CB ' ' OD2' ' A' ' 20' ' ' ASP . . . -72.53 -2.71 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ASP . 2.0 pt20 -60.53 160.28 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.22 16.94 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -112.33 150.15 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.4 tmm_? -143.43 133.72 12.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.77 167.25 71.74 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.339 0.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 10.8 mmtp -43.85 168.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 141.84 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.1 p -103.42 137.48 41.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.78 -26.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 50.87 59.3 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 6.1 tpm_? -109.56 151.69 26.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 p -137.33 161.15 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.49 ' CZ ' ' HG2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -152.31 170.89 18.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -109.91 -9.31 14.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -144.02 153.97 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.406 ' HE2' ' CD ' ' A' ' 88' ' ' GLU . 23.6 tpp -55.58 -55.98 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -45.09 -46.13 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.18 -36.29 68.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.98 -57.54 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.09 -57.1 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.8 m -50.83 -28.05 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -83.0 -62.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 19.9 t -54.2 -21.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.4 m -93.1 -56.28 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' HIS . 4.9 mtt -88.0 -49.76 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 58.2 mm-40 -70.77 3.54 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -142.73 -73.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.0 t -69.71 -2.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.37 -164.26 44.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.04 -163.48 31.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.55 4.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -86.05 -34.13 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -52.91 135.1 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.94 -71.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -86.14 129.09 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.474 ' N ' HD21 ' A' ' 57' ' ' ASN . 6.8 m170 -105.25 106.31 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.38 134.51 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.453 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.33 114.02 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 1.6 m-85 -100.27 97.06 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.693 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.68 145.14 25.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -43.55 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 16.6 tt0 -157.86 33.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.2 t -45.06 134.01 5.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.687 0.756 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.51 36.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -94.22 -23.12 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 73.94 30.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.21 59.27 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -101.24 118.4 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 p -48.06 154.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 19.3 m-85 -110.68 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -96.08 -7.54 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . . . -164.48 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.14 -51.71 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 2.4 p90 -58.45 -28.01 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -62.69 -40.3 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 8.2 tp -84.82 -49.35 8.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -49.6 -31.22 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.69 -35.96 60.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.4 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 t60 -64.38 -41.08 96.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 4.2 mt -51.46 -27.95 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -63.43 -29.24 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 85' ' ' HIS . 3.5 m -69.16 -22.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.693 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 11.8 m-70 -74.72 -13.0 60.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p -105.76 -50.17 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.43 41.57 25.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 38' ' ' MET . 8.2 tt0 -108.02 117.18 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' CB ' HG21 ' A' ' 101' ' ' ILE . 7.1 mmmt -132.72 144.32 52.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.7 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -156.27 142.51 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -89.94 135.47 30.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.462 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.78 -22.78 31.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.384 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.95 128.77 93.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.697 0.761 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 125.76 12.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.03 -6.89 83.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 100' ' ' LYS . 16.1 t -80.46 -32.15 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.3 24.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 17.5 tptt -88.87 147.45 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.471 HG21 ' CB ' ' A' ' 89' ' ' LYS . 2.4 mt -139.58 152.13 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.1 m-85 -134.04 135.02 43.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.13 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -128.9 131.13 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.1 p -57.75 -56.28 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.31 -42.52 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.44 -42.1 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 91' ' ' PHE . 10.0 tp -67.64 -44.4 78.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.66 -38.92 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -77.53 -30.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 114' ' ' THR . 66.1 t60 -77.98 -21.67 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.462 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.4 mtpm? -80.72 -37.85 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 113' ' ' ARG . 3.5 ptm85 -66.82 -28.28 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 3.0 t -75.49 -27.12 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -57.7 -63.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -38.55 134.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 89.59 -54.33 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -81.05 122.2 27.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -94.02 157.93 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -47.78 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -93.42 124.25 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -122.94 136.33 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 49.3 t -40.08 115.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -64.97 -11.5 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -71.02 123.22 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.6 151.32 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.91 11.73 58.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.4 t -113.68 149.29 34.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -124.91 109.21 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -149.02 179.73 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 128.56 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -139.18 154.5 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.8 -11.48 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -139.69 132.14 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -46.74 -39.79 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -51.56 -53.97 32.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.47 -37.98 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.66 -49.25 78.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 64.6 mttt -76.78 -20.44 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.1 t60 -84.86 -2.25 57.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.7 mmt -87.92 -21.18 25.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.98 -21.21 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.58 -16.35 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.6 m-70 -76.18 -19.95 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.91 -69.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -120.05 78.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -38.63 105.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -110.22 160.1 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 41.0 t -147.94 179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 136.19 -69.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 104.37 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 36.6 m -64.3 107.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.0 p -87.09 99.2 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.451 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -120.28 -179.73 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 4' ' ' GLY . 5.1 t -168.48 174.66 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 3' ' ' SER . . . 84.13 -99.29 2.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p -119.23 76.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 t -152.0 158.3 42.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 179.31 42.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -122.59 144.22 41.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 -173.21 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.92 126.62 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -88.92 137.0 32.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -84.14 139.86 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 3.1 pt-20 -90.97 148.09 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.47 165.08 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m -132.14 164.86 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 100.29 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.16 98.93 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 13.7 t-105 -107.13 123.45 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mt -122.44 100.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 9.0 t70 -77.77 130.7 37.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.7 -34.04 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.93 1.87 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 20' ' ' ASP . 15.4 pt20 -67.66 126.12 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.2 16.06 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.6 t -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.2 tpt180 -153.05 140.25 13.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.8 Cg_endo -69.74 149.89 89.24 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.343 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' HE2' ' NE2' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -44.85 124.2 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.97 149.54 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -101.23 151.42 21.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 140.03 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -116.67 121.37 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 18.7 ttt85 -174.24 168.08 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 p -145.06 168.03 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -152.16 164.62 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -104.71 -27.68 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 p -123.7 169.45 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.58 -55.97 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -48.83 -34.72 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.21 -44.33 95.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.0 tp -67.61 -57.88 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' CG1' ' NH1' ' A' ' 83' ' ' ARG . 57.2 t -49.87 -53.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.6 m -50.75 -30.24 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 48' ' ' GLU . 33.8 t60 -80.97 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.429 ' CG1' HG23 ' A' ' 82' ' ' ILE . 14.0 t -54.04 -21.91 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.17 -56.44 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' HIS . 7.0 mtt -87.35 -49.96 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 44' ' ' HIS . 31.4 mm-40 -70.85 3.51 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.3 -73.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.9 t -69.78 -2.89 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.62 -170.17 46.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.21 -162.28 34.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.59 -44.25 7.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.83 107.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -54.86 -76.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.01 98.45 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.7 109.72 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.51 134.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -102.33 113.73 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -99.21 96.88 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 85' ' ' HIS . 6.0 t-105 -90.93 145.12 25.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -45.02 -25.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -151.42 31.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.2 t -44.41 134.23 4.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -19.59 35.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -88.57 -1.19 57.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 49.44 31.36 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.97 63.21 3.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -112.99 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LYS . 3.5 t -36.82 154.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 78' ' ' LEU . 63.9 m-85 -102.91 -173.71 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 15.12 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . . . -162.53 178.65 8.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -88.76 -47.9 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 24.6 p90 -65.95 -18.98 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.649 ' CD ' ' CE1' ' A' ' 76' ' ' TYR . 24.3 mmmt -70.48 -40.48 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 72' ' ' PHE . 2.4 tp -80.15 -52.98 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -51.4 -30.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.4 -21.04 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -75.4 -44.08 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.429 HG23 ' CG1' ' A' ' 45' ' ' VAL . 2.0 mt -52.71 -24.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' NH1' ' CG1' ' A' ' 42' ' ' VAL . 15.1 mmt180 -59.25 -16.15 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' O ' ' CD ' ' A' ' 88' ' ' GLU . 4.5 m -87.64 -10.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 62' ' ' TRP . 23.4 m-70 -98.11 -4.27 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 88' ' ' GLU . 1.8 p -86.7 -75.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.13 3.34 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.65 144.5 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 101' ' ' ILE . 13.0 mmmt -96.86 155.07 38.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 53.3 Cg_endo -69.76 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 1.1 p90 -155.0 117.65 2.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.691 0.758 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.94 136.02 29.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 133' ' ' ALA . 54.6 Cg_endo -69.71 3.48 2.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.4 t80 -107.95 131.41 21.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.9 Cg_endo -69.77 -53.74 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.74 -2.86 13.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.3 t -100.48 -48.81 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.69 25.32 3.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 15.5 tptt -89.27 152.23 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 89' ' ' LYS . 6.9 mt -136.21 144.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -128.87 159.85 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.08 0.09 48.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -123.37 150.17 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.4 p -76.1 -46.84 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -60.38 -34.71 74.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.89 -49.0 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.78 -59.05 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -40.9 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 72.9 mt -75.59 -31.37 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.457 ' O ' ' CG2' ' A' ' 114' ' ' THR . 17.5 t60 -81.0 -20.04 42.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.457 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 7.3 mtpm? -76.75 -28.65 55.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 9.9 ptm180 -77.23 -15.41 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 10.7 t -88.79 0.95 56.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -84.09 -67.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.2 m -174.0 158.35 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . -81.27 -40.93 10.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -85.13 157.78 20.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.41 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -89.83 144.1 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.32 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.398 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.65 123.2 44.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' CYS . 14.1 ttpp -122.69 133.21 54.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.414 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 47.8 t -37.28 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -63.89 -7.71 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.488 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.7 t80 -71.17 120.62 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 10.6 tp10 -62.05 145.13 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.463 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 70.76 18.16 75.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.47 144.57 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.92 105.97 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -151.02 177.39 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -147.23 128.24 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -127.34 158.93 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 94' ' ' PRO . . . -111.08 -19.21 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.42 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.7 OUTLIER -130.48 137.63 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -53.2 -36.08 60.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -55.63 -44.23 76.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 29.5 m-20 -63.75 -43.96 94.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -57.13 -45.0 83.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -72.52 -21.19 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.2 mtpp -84.89 -21.14 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 69.8 t60 -81.47 -3.39 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -18.69 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.2 OUTLIER -59.72 -20.26 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.519 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.2 -19.46 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.488 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 22.7 m-70 -72.69 -39.73 66.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.6 m -94.15 124.32 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 39.0 t -146.57 172.69 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 148' ' ' ASP . 11.2 p-10 -157.85 162.05 38.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -83.6 163.83 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.9 p 39.61 43.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -50.87 150.12 6.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -31.88 19.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 92.5 p -105.36 -179.14 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 t -149.97 151.65 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.45 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -55.04 149.66 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -120.25 -33.48 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.04 67.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 106.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -151.56 175.13 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.48 -80.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 1.6 tp-100 -112.29 140.14 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' CD ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.77 120.46 7.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.404 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -119.77 134.42 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.81 108.78 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -112.99 139.77 48.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -90.51 122.55 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.7 mt -102.3 167.9 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -140.5 131.56 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.74 87.98 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -81.3 98.89 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.74 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 18.3 t-105 -107.05 122.91 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.449 HG22 ' NE2' ' A' ' 23' ' ' GLN . 2.6 mt -122.73 99.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 2.5 t0 -74.6 103.27 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -37.07 -51.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.88 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.449 ' NE2' HG22 ' A' ' 19' ' ' ILE . 15.6 pt20 -78.91 141.94 37.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.56 16.25 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 18.7 p -111.7 144.74 40.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.4 mmm180 -153.1 134.87 8.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.73 152.5 92.3 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.341 -0.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -45.8 125.75 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HD3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -111.82 175.46 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 31' ' ' CYS . 3.1 p -117.92 125.07 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.0 t -35.01 99.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.28 111.95 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -175.11 168.96 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.638 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.7 t -156.5 174.01 16.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -152.1 167.22 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -88.5 -45.51 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.2 p -114.12 157.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.3 tpp -57.98 -54.82 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -42.02 -43.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.42 -44.55 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 45' ' ' VAL . 12.8 tp -69.19 -48.75 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 t -51.38 -51.49 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.1 m -56.46 -25.82 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.8 t60 -83.03 -62.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 41' ' ' LEU . 19.4 t -54.41 -21.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.1 m -93.18 -56.3 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.407 ' C ' ' H ' ' A' ' 49' ' ' HIS . 2.0 mtt -88.01 -50.01 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.519 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 30.8 mm-40 -70.63 3.41 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.5 m-70 -142.33 -73.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.7 t -70.0 -2.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 48.01 -174.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.64 -168.45 42.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.69 -23.14 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 50' ' ' VAL . 8.4 mt-30 -59.02 126.77 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -46.18 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -112.54 130.73 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 8.4 m170 -95.85 106.79 18.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 t -139.25 136.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.553 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.84 112.8 24.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 11.6 m-85 -99.32 97.36 8.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.6 t-105 -90.28 145.39 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -42.39 -22.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' TRP . 32.6 mm-40 -159.55 33.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.5 t -43.8 134.52 3.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.17 27.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.18 -22.35 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 73.83 34.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.43 55.38 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 8.7 mmmt -87.79 89.59 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m -35.0 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 29.4 m-85 -123.24 160.71 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HE2' ' CA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -99.2 40.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -173.84 136.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 58' ' ' HIS . 12.9 mmmt -61.32 -36.88 81.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -85.35 -6.74 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 15.8 mmtt -80.18 -41.13 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 tp -78.83 -37.09 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.0 t -60.16 -56.42 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' C ' ' HD2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -47.71 -28.29 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -72.12 -41.04 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.436 ' CD1' HG11 ' A' ' 45' ' ' VAL . 2.8 mt -58.27 -23.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.638 ' N ' ' NE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -47.72 -40.63 20.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 85' ' ' HIS . 2.6 m -68.23 -24.27 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.546 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.17 -1.06 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.8 p -115.34 -44.73 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.31 27.35 2.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -98.6 135.41 40.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.467 ' CB ' HG23 ' A' ' 101' ' ' ILE . 8.3 mmmt -119.21 146.11 39.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 54.2 Cg_endo -69.68 -50.8 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -155.98 143.4 13.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.412 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.78 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.9 135.86 24.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.4 Cg_endo -69.72 3.13 2.93 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -96.9 132.5 25.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.73 -53.92 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.35 42.27 3.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.2 t -134.14 -55.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.18 25.96 57.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 35.0 tptt -92.1 150.79 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.467 HG23 ' CB ' ' A' ' 89' ' ' LYS . 4.0 mt -139.68 140.97 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -125.82 134.35 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.64 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -110.1 131.12 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.3 p -57.94 -51.23 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 6.6 tt0 -54.54 -43.25 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -58.47 -38.56 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 102' ' ' PHE . 6.3 tp -72.04 -46.7 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -60.71 -48.12 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 64.5 mt -63.99 -33.04 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 27.4 t60 -80.3 -24.43 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.465 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 14.2 mtpt -78.56 -32.47 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 0.8 OUTLIER -66.29 -29.12 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 14.3 t -75.72 -21.58 57.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.402 ' N ' HG22 ' A' ' 114' ' ' THR . 6.1 m-70 -71.01 -8.91 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 -22.91 42.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.56 -68.89 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -110.22 155.04 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -111.3 145.18 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.712 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -40.27 5.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.286 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.435 ' CE1' ' OG ' ' A' ' 135' ' ' SER . 98.4 m-85 -115.69 126.58 54.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -123.03 138.01 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 50.6 t -43.83 115.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.54 -7.37 37.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -71.48 141.05 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.98 152.88 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 53.78 26.9 34.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 5.9 t -121.81 139.71 53.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -120.0 106.74 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -148.01 -178.08 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -155.29 130.29 9.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.31 146.64 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.25 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.63 152.88 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.435 ' OG ' ' CE1' ' A' ' 121' ' ' PHE . 9.5 m -60.19 -49.04 79.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 p -45.59 -46.47 14.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.63 -35.12 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.22 -53.57 42.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -60.69 -20.69 61.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.8 mttp -76.95 -19.57 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 55.7 t60 -85.33 -2.28 57.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -87.86 -22.24 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -56.05 -20.65 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.11 -16.16 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.52 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 18.2 m-70 -77.39 -36.65 53.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.0 m -137.32 -178.23 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -79.06 114.93 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -140.79 120.88 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 44.2 t -113.23 152.74 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -160.93 -163.34 13.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 156.92 62.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.721 2.28 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.3 t -143.01 136.96 28.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.8 t -84.26 177.18 8.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.484 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -157.46 177.39 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -134.16 148.88 50.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.09 -140.78 5.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -119.52 152.79 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -40.25 147.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 -176.68 47.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -109.71 144.0 29.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.31 2.83 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 mt -94.95 112.9 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -120.45 128.22 52.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -91.37 144.15 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -94.47 131.46 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.14 161.34 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -126.6 127.9 45.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.6 t -111.42 93.73 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 30' ' ' SER . 0.0 OUTLIER -94.33 98.91 11.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 9.7 t-105 -107.17 114.46 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -111.52 113.67 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.42 133.22 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.94 -40.18 54.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.87 28.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 7.9 pt20 -80.54 137.54 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 2.9 tt -92.79 0.4 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.46 127.88 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.6 tpt180 -128.78 140.01 37.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.81 165.56 76.45 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 23' ' ' GLN . 32.9 mmtm -50.28 118.96 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -105.04 152.42 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 5.2 p -104.97 163.94 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.19 -56.61 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.06 57.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.597 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 19.2 tpt180 -115.92 152.24 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.509 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.4 p -130.27 164.0 25.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.597 ' CZ ' ' CG ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -153.04 166.77 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -97.49 -32.53 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -126.06 165.24 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.463 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 6.1 tpt -64.82 -55.62 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -44.39 -33.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.34 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 62.2 tp -72.8 -38.84 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.44 -57.46 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.37 -28.03 27.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t60 -82.78 -62.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG11 ' CG2' ' A' ' 82' ' ' ILE . 75.6 t -53.72 -22.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 42.9 m -93.04 -56.4 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.0 mtt -87.26 -50.04 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.5 mm-40 -70.67 3.26 3.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.07 -74.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 55.2 t -69.42 -2.96 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 72.73 -173.76 46.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . . . -104.78 -160.64 23.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.84 5.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -104.3 7.38 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.434 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 3.9 tp-100 -86.58 146.31 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 57' ' ' ASN . 1.1 p-10 -90.02 -71.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 29.2 t30 -95.21 100.76 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 55' ' ' GLN . 1.0 OUTLIER -90.7 111.35 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.638 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 2.4 t -138.6 132.51 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.24 114.29 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.638 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.6 m-85 -111.77 97.38 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.7 t-105 -90.9 146.54 23.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -37.81 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 62' ' ' TRP . 3.3 mm-40 -148.6 49.63 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.554 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 41.9 t -86.57 135.24 36.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.76 37.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 1.6 mmp_? -67.38 -32.21 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 54.05 15.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 119.59 -24.69 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.55 105.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -177.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -113.69 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -100.69 -10.65 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.59 153.48 38.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 52' ' ' GLY . 14.2 tppt? -63.46 -54.46 36.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 77' ' ' LYS . 6.2 p90 -55.91 -34.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.491 ' N ' ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -68.77 -33.61 74.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.457 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -77.01 -43.73 33.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.37 -51.56 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -51.48 -33.8 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CE1' ' CG ' ' A' ' 67' ' ' ARG . 5.8 t60 -68.65 -39.5 80.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 ' CG2' HG11 ' A' ' 45' ' ' VAL . 10.9 mt -65.01 -16.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.5 -20.94 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 85' ' ' HIS . 4.8 m -80.87 -21.66 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.428 ' N ' HG23 ' A' ' 84' ' ' VAL . 51.8 m-70 -77.87 -4.54 47.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.463 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 26.9 p -117.24 -64.87 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 136.2 29.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -108.06 148.92 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' HE2' ' CA ' ' A' ' 102' ' ' PHE . 1.2 tptt -95.77 147.36 32.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.75 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.69 ' CE2' ' CD2' ' A' ' 108' ' ' LEU . 1.5 p90 -154.03 122.2 3.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.3 Cg_endo -69.71 -165.8 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 42.6 t -89.74 131.23 40.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -68.8 132.75 90.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.8 Cg_endo -69.73 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.23 40.8 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 8.2 t -135.71 -55.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.36 19.26 39.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 7.3 tptm -83.25 150.91 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.452 HG23 ' CB ' ' A' ' 89' ' ' LYS . 5.0 mt -129.51 147.43 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.617 ' CZ ' ' CG ' ' A' ' 111' ' ' HIS . 9.0 m-85 -131.92 135.17 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.47 -13.1 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.13 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -61.23 -48.48 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.75 -30.11 65.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -53.28 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 91' ' ' PHE . 1.2 tp -61.36 -53.4 57.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -52.83 -34.19 52.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 96.8 mt -84.33 -29.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.617 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 57.8 t60 -79.41 -22.24 44.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -79.65 -28.52 40.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 1.4 ptp180 -76.09 -32.97 59.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 115' ' ' HIS . 11.6 t -68.17 -22.27 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.403 ' N ' HG22 ' A' ' 114' ' ' THR . 8.1 m-70 -67.67 -3.84 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.58 177.25 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.9 -77.75 1.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.49 137.92 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 131' ' ' ARG . 7.5 mmpt? -111.26 147.17 36.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -50.56 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.2 m-85 -77.24 102.99 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.9 ttpt -106.31 137.6 43.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' LYS . 25.8 t -37.57 134.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.1 -6.41 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -71.73 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.17 21.08 79.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 10.7 t -121.09 148.62 43.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.415 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 1.1 m-20 -124.99 109.1 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 29.1 mmt180 -151.95 173.78 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.459 ' HB3' ' CG ' ' A' ' 119' ' ' LYS . 10.5 mmt180 -145.28 134.37 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 121' ' ' PHE . 38.8 m-85 -147.4 161.5 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.86 -11.23 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.71 136.46 35.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -49.0 -37.76 21.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.2 m -53.45 -52.19 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.75 -48.19 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -59.05 -36.99 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -73.64 -24.38 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -74.4 -21.11 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 39.4 t60 -86.27 0.29 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.67 -20.31 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -56.43 -20.09 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.38 -18.01 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 17.2 m-70 -76.86 -34.0 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.29 1.37 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.6 t -113.57 144.94 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -93.42 13.64 21.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -102.82 151.36 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.9 t -60.13 -29.9 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 162.25 161.11 11.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 80.6 p -91.8 107.08 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -110.35 -64.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.19 -0.784 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -131.88 87.8 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -166.58 138.09 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.46 168.74 29.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -123.36 158.06 31.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.39 . . . . 0.0 110.806 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -151.11 140.61 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 71.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.15 146.33 36.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.72 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 mt -96.71 140.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -90.9 137.64 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -90.55 127.28 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.7 133.87 34.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -92.54 167.89 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.1 m -148.61 134.89 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.33 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -83.59 98.85 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 15.4 t-105 -107.03 118.58 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.457 HD12 ' CG ' ' A' ' 63' ' ' GLU . 2.6 mt -118.36 99.11 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 18.5 m-20 -74.0 112.18 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.72 -32.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.35 39.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -42.35 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 2.2 tt -106.53 0.02 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -128.09 174.68 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 12.0 tpt180 -146.93 132.87 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -172.09 7.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.332 0.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 87.2 mttt -63.33 126.92 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 160.61 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.73 152.09 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.64 98.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.25 84.88 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -140.66 158.15 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -148.78 168.19 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -152.44 170.11 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -96.85 -36.2 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -114.32 158.77 21.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.7 tpp -65.44 -44.0 88.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -53.06 -43.27 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.12 -39.23 74.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 tp -73.46 -51.57 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 t -50.76 -56.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -52.91 -26.31 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.3 t60 -82.89 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.444 ' CG1' HG23 ' A' ' 82' ' ' ILE . 37.6 t -54.1 -21.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 19.3 m -93.05 -56.33 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.407 ' C ' ' H ' ' A' ' 49' ' ' HIS . 4.6 mtt -87.96 -49.87 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 24.3 mm-40 -70.67 3.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.718 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 9.9 m-70 -142.38 -73.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.9 t -69.7 -2.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.42 -169.69 43.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.67 -165.48 30.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.43 10.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.72 27.82 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.732 ' N ' HE21 ' A' ' 55' ' ' GLN . 0.0 OUTLIER -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -85.74 -63.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -81.5 102.56 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 1.8 p-80 -109.27 111.27 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.2 t -140.14 138.34 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.459 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 116.86 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.8 96.78 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.574 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 3.9 t-105 -90.39 144.93 25.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.457 ' CG ' HD12 ' A' ' 19' ' ' ILE . 46.6 tt0 -43.71 -26.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -151.56 30.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.0 t -42.53 134.24 2.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.66 26.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 16.4 mmm180 -85.25 -18.65 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 4.3 mt-10 69.47 34.93 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.43 61.5 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -109.52 113.67 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.9 p -43.27 161.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.79 -179.8 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -84.72 -22.12 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.84 170.59 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -52.65 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -58.38 -24.14 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.61 -37.43 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 54.8 tp -80.11 -41.67 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.59 -34.13 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -74.64 -25.33 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.04 -49.51 44.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.444 HG23 ' CG1' ' A' ' 45' ' ' VAL . 3.7 mt -55.57 -17.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.504 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -61.51 -25.58 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.9 m -83.66 -19.98 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.574 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -75.52 -25.28 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 p -63.1 -57.61 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.77 27.08 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.88 114.32 28.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' CB ' HG22 ' A' ' 101' ' ' ILE . 8.4 mmmt -133.26 147.9 66.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 54.0 Cg_endo -69.77 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.598 ' N ' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.22 121.11 2.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' A' ' 108' ' ' LEU . 53.1 Cg_endo -69.82 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.83 135.4 30.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -22.06 32.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.753 2.302 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.644 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 2.9 t80 -71.64 133.03 84.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.82 -53.75 0.25 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.34 38.69 2.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.9 t -130.11 -62.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.38 21.96 68.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 27.3 tptt -87.41 150.46 23.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.708 0.29 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.432 HG22 ' CB ' ' A' ' 89' ' ' LYS . 4.9 mt -142.1 147.42 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -130.92 148.95 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.52 -13.52 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -114.34 149.64 35.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 t -73.66 -50.36 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.463 ' CG ' HD12 ' A' ' 110' ' ' ILE . 14.4 tt0 -58.41 -35.62 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 107' ' ' ASN . 1.0 OUTLIER -64.28 -28.18 69.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 92' ' ' PRO . 4.5 tp -85.49 -56.2 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.38 -24.74 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.463 HD12 ' CG ' ' A' ' 106' ' ' GLU . 86.8 mt -85.06 -32.49 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 115' ' ' HIS . 8.2 t60 -80.24 -19.26 47.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -74.83 -26.96 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -86.44 -35.04 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.565 ' O ' ' C ' ' A' ' 115' ' ' HIS . 1.4 t -99.25 -18.35 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.644 ' CE1' ' CG ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER 21.34 54.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 13.9 m -92.06 158.21 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . 82.14 -54.25 4.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.61 131.52 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -121.63 147.59 48.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -41.16 4.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -116.58 113.66 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -120.08 136.56 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.8 t -42.55 118.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.21 -4.71 37.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.675 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.98 139.49 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -73.67 155.77 38.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.15 13.85 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.57 138.79 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.82 106.54 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 141' ' ' HIS . 56.0 mmm-85 -145.73 174.47 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 142.9 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -143.21 160.21 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -111.1 -20.19 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.552 ' N ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -129.17 150.94 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.4 p -52.01 -48.95 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 p -55.91 -55.55 31.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.423 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 7.2 m-20 -45.15 -28.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -83.07 -53.28 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -66.88 -15.01 63.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -78.96 -20.85 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.611 ' CE1' ' NH1' ' A' ' 130' ' ' ARG . 37.8 t60 -88.11 -0.12 56.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.71 -23.1 25.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -52.93 -20.45 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.24 -16.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.675 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 -77.74 -7.82 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -42.79 -24.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.9 m -109.88 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -125.49 144.35 50.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -112.9 113.21 25.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.8 t -42.07 141.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -162.83 -89.37 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -169.2 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.0 t -134.64 147.02 50.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -96.31 100.14 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.446 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -149.6 149.28 30.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -125.56 162.11 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.7 -176.43 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.16 111.24 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -124.36 121.6 35.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.98 172.04 37.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 9.6 tt0 -101.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.79 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.94 132.11 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -95.32 106.18 18.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 88' ' ' GLU . 3.7 pm0 -91.96 144.74 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.71 145.17 26.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 34' ' ' THR . 9.6 mt -109.62 168.06 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 m -140.2 128.12 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 2.3 t -122.97 98.43 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -93.77 98.09 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.644 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 8.1 t-105 -107.97 122.65 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 4.1 mt -124.13 99.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLN . 42.5 t0 -83.28 114.92 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -39.28 -31.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.93 40.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -44.83 169.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -101.18 -14.21 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.418 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.4 175.21 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -150.62 134.94 9.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.1 Cg_endo -69.79 -166.55 3.32 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 22.6 mttp -70.38 132.98 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -133.58 162.76 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -88.88 142.45 27.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -41.72 -26.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 55.55 52.78 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 34' ' ' THR . 6.9 tpm_? -111.43 151.0 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 7.0 p -149.03 161.8 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 62.9 m-85 -152.15 171.03 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.5 p -95.23 -39.43 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -111.45 157.24 20.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.3 tpp -58.89 -55.77 30.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -42.74 -39.0 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 30.6 mt-10 -63.38 -42.85 98.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 13.2 tp -68.45 -49.04 62.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.52 -54.34 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.8 m -52.3 -29.31 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.522 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 45.5 t60 -81.5 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' CG2' ' A' ' 82' ' ' ILE . 22.0 t -54.58 -21.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.02 -56.73 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.409 ' C ' ' H ' ' A' ' 49' ' ' HIS . 3.5 mtt -87.84 -49.79 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 10.1 mm-40 -70.82 4.13 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.644 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.4 -74.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 54.3 t -69.18 -3.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.34 -160.19 49.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.32 -164.93 22.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.461 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' GLN . 52.1 mt-10 -83.45 -54.01 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -38.0 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -84.6 -68.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -91.18 121.27 32.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.553 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 22.9 m80 -108.4 106.25 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 58' ' ' HIS . 87.7 t -141.58 118.09 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -88.59 118.25 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -97.4 97.03 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.35 145.77 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 3.9 tm-20 -48.53 -18.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -156.0 34.37 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 1.1 t -55.43 136.12 69.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.7 0.762 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.46 14.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.604 ' NH2' ' CE2' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -67.4 -4.99 12.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 39.43 44.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.3 75.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.4 ttpt -85.99 80.54 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' LYS . 74.9 m -34.58 133.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.604 ' CE2' ' NH2' ' A' ' 67' ' ' ARG . 52.9 m-85 -98.08 149.53 22.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 38.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.15 113.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HE3' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -51.65 -30.49 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 3.6 p90 -73.96 -33.99 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.568 ' CD ' ' CE1' ' A' ' 76' ' ' TYR . 11.0 mmmm -64.02 -39.39 94.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -73.28 -40.36 64.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.4 t -61.18 -56.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.25 -35.8 67.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -43.21 81.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.474 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 2.8 mt -56.24 -18.04 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 4.8 mmt85 -69.69 -27.48 65.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 85' ' ' HIS . 3.1 m -78.4 -22.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.793 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -69.17 -8.39 45.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.6 p -101.94 -61.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.48 55.32 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' A' ' 14' ' ' LEU . 11.6 tt0 -75.68 114.98 14.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' CG ' HG21 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -103.46 160.54 25.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.537 0.684 . . . . 0.0 110.906 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -52.29 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CD1' HD22 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -156.64 131.61 5.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.859 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HA ' ' CG2' ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 43.4 t -90.77 136.71 27.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.669 0.747 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.47 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.92 2.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.8 t80 -99.56 134.36 21.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.5 Cg_endo -69.71 -54.07 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.44 45.02 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 22.8 t -134.52 -48.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.96 22.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 tptm -95.81 153.62 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 6.1 mt -144.22 158.27 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -141.63 132.17 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.24 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -110.11 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -55.72 -60.15 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -48.54 -41.07 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -55.44 -35.45 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 91' ' ' PHE . 14.8 tp -76.73 -42.25 41.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -64.02 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.49 -32.11 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 115' ' ' HIS . 28.0 t60 -75.9 -46.65 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.2 mtpm? -55.21 -33.29 62.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -81.62 -23.28 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 t -101.51 -4.76 26.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' HIS . 0.4 OUTLIER -132.28 -47.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.0 OUTLIER -87.66 156.33 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . 110.35 -40.43 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -88.97 158.08 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.632 ' HZ2' ' N ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -88.96 125.01 63.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.1 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.3 148.99 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.632 ' N ' ' HZ2' ' A' ' 119' ' ' LYS . 0.5 OUTLIER -123.06 138.06 54.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.89 110.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.419 ' CG ' ' HD2' ' A' ' 138' ' ' ARG . 13.8 mt-10 -48.8 -19.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.79 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -73.95 112.65 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 154.94 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.2 3.22 23.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.4 t -102.18 152.92 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.466 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 12.0 t70 -123.76 106.01 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.466 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 17.8 mmt180 -154.19 -173.91 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -153.04 128.49 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 63.0 m-85 -130.0 146.43 51.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -101.16 -13.27 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.591 ' N ' HD21 ' A' ' 134' ' ' ASN . 0.0 OUTLIER -140.1 150.05 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 28.2 p -62.18 -33.79 75.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.6 t -60.54 -54.85 40.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.41 -46.27 83.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 6.6 ttp180 -54.75 -41.2 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -76.51 -14.96 59.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 17.9 mttm -81.67 -25.0 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 34.9 t60 -82.61 -0.33 46.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -87.75 -20.17 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER -57.6 -20.24 31.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.401 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.74 -19.22 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.79 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 -71.05 -38.38 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -94.64 -61.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.8 t -92.36 178.06 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.05 -22.74 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -63.78 120.13 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 45.3 m -89.88 134.22 34.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.23 65.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -105.3 -73.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.1 t -128.89 164.32 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.459 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.755 0.312 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -99.11 140.38 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mt -117.98 167.83 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 t -156.51 130.17 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.38 96.67 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -76.96 98.55 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 12.8 t-105 -107.35 112.81 25.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.487 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 2.7 mt -109.98 99.0 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.84 124.08 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.07 -27.94 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.53 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' NE2' ' HD2' ' A' ' 28' ' ' LYS . 9.7 pt20 -63.05 130.97 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.09 7.1 46.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.434 ' C ' ' HD3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.03 126.54 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -122.52 157.22 59.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.77 150.65 90.51 Favored 'Cis proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.354 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HE2' ' CG2' ' A' ' 19' ' ' ILE . 4.3 mmmm -32.92 125.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.91 157.82 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.05 163.48 15.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -70.86 107.34 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -85.58 110.31 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -172.55 167.51 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.575 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 7.7 p -148.56 167.5 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -146.44 157.5 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -94.43 -21.32 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.4 p -133.77 163.81 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 tpp -69.09 -54.32 15.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -43.42 -49.72 7.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.23 -37.12 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 45' ' ' VAL . 8.6 tp -73.64 -25.47 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.46 -58.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.1 m -51.32 -30.48 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.9 t60 -81.9 -62.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.761 ' CG1' HG21 ' A' ' 82' ' ' ILE . 71.2 t -54.21 -21.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.9 m -93.09 -56.62 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.1 mmm -87.98 -49.98 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 6.3 mm-40 -70.26 2.93 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.41 -71.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 82' ' ' ILE . 2.3 t -70.48 -11.34 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 82.18 178.1 52.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.25 -170.95 41.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.24 3.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.59 -33.13 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -71.81 130.59 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -78.13 -74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -80.79 99.99 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.454 ' CD2' ' HD3' ' A' ' 75' ' ' LYS . 2.6 p80 -105.62 126.56 52.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.58 129.08 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -97.19 118.29 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -103.97 97.19 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.601 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.49 145.82 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -44.21 -21.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 62' ' ' TRP . 3.7 pt-20 -159.31 32.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.502 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.67 134.24 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.81 36.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -88.38 -23.68 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 74.95 24.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 60.94 2.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -109.45 150.36 28.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -90.19 156.1 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 77.5 m-85 -109.83 -177.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -108.73 18.86 20.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 76' ' ' TYR . . . -175.52 157.12 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 58' ' ' HIS . 16.8 mmmt -66.65 -51.59 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 34.8 p90 -55.04 -26.98 41.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 76' ' ' TYR . 14.8 mmtp -66.7 -40.94 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 9.8 tp -76.03 -50.81 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.35 -35.26 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 1.3 t30 -73.1 -29.7 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.7 t60 -65.08 -53.99 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.761 HG21 ' CG1' ' A' ' 45' ' ' VAL . 2.2 mt -49.38 -18.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 42.4 mmm-85 -55.7 -26.95 47.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 81' ' ' HIS . 6.6 m -82.63 -20.31 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.601 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.42 -11.89 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.677 0.751 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.964 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.2 t -98.2 135.88 21.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' HB1' ' A' ' 133' ' ' ALA . 54.1 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -100.4 132.11 22.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.76 -53.81 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.48 38.6 2.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.2 t -132.73 -42.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.98 21.78 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 12.6 tptm -85.81 152.02 23.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.964 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.2 mt -140.09 144.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -128.32 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.26 1.74 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -123.84 145.93 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.9 t -74.87 -37.72 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.31 -31.83 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.27 -46.51 76.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 92' ' ' PRO . 11.6 tp -66.73 -49.95 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -58.97 -38.65 79.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 86.9 mt -78.11 -28.66 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 1.9 t-80 -81.93 -22.23 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.7 mtpm? -73.01 -26.96 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.8 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.927 0.394 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -106.6 132.19 52.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 47.9 t -38.41 126.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.63 -11.85 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.3 t80 -71.76 119.24 15.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.73 148.03 52.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.26 9.19 63.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 7.6 t -108.24 147.29 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -120.13 105.96 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -151.02 -177.79 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -157.21 136.42 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -147.44 160.59 42.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 94' ' ' PRO . . . -116.26 -16.42 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -128.09 128.99 45.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 t -48.2 -20.77 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 66.8 m -66.98 -53.76 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -54.05 -53.34 54.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -52.05 -57.14 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -56.09 -22.7 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 16.1 mtpp -84.18 -21.46 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.4 t60 -84.69 -1.57 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.69 -23.17 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER -54.92 -20.13 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.4 -12.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.638 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.8 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.33 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -90.85 145.02 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 38' ' ' MET . 8.0 mt -120.21 166.58 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p -138.36 128.12 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 t -113.81 95.11 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -89.76 98.97 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.744 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 12.3 t-105 -107.25 116.31 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 63' ' ' GLU . 2.7 mt -112.87 105.37 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 123.08 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -25.66 67.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.11 33.73 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 16.9 pt20 -76.14 129.65 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.59 6.72 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 t -111.59 153.49 26.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 7.1 mmm-85 -150.9 148.44 23.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.8 169.7 62.24 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 0.1 OUTLIER -46.71 108.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 152.72 22.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -102.02 146.49 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.99 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -77.9 110.85 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -169.02 166.52 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.434 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 17.3 p -145.72 169.8 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' THR . 10.2 m-85 -149.84 167.93 25.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.401 ' OG ' HG23 ' A' ' 37' ' ' THR . 52.4 p -99.68 -41.16 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.401 HG23 ' OG ' ' A' ' 36' ' ' SER . 5.2 p -120.17 164.03 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.54 ' HA ' HD11 ' A' ' 14' ' ' LEU . 21.9 tpp -63.99 -48.55 76.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -51.9 -38.63 56.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -62.7 -35.91 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.21 -57.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.8 m -50.35 -27.62 6.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.1 t60 -83.03 -62.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG12 HD13 ' A' ' 82' ' ' ILE . 37.4 t -54.2 -21.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.5 m -93.08 -56.26 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.6 mtt -88.15 -49.85 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 43.8 mm-40 -70.65 3.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.47 -73.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.5 t -69.93 -2.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.11 -153.77 47.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.2 -161.07 13.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.53 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.01 -13.2 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -73.42 141.89 46.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -76.69 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -87.4 112.13 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.757 ' HB3' HD23 ' A' ' 78' ' ' LEU . 25.4 m80 -99.78 105.78 17.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 69' ' ' GLY . 37.0 t -136.46 138.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.73 114.88 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.21 97.14 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.74 145.55 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 19' ' ' ILE . 25.1 tt0 -45.39 -20.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 62' ' ' TRP . 18.4 pm0 -158.74 33.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.3 t -47.01 134.09 8.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.06 35.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.25 -24.73 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 70.49 28.45 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 59' ' ' VAL . . . 97.21 -27.6 17.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.28 104.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p -70.03 -176.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.481 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 4.4 m-85 -118.16 -177.49 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.03 20.15 18.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.741 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -167.16 163.95 15.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -70.96 -53.85 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.506 ' CE1' ' CB ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -55.07 -27.97 48.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.741 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -63.13 -40.51 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 58' ' ' HIS . 12.0 tp -80.28 -44.61 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.11 -39.4 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -73.47 -23.09 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.33 -51.72 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.72 HD13 HG12 ' A' ' 45' ' ' VAL . 2.9 mt -50.03 -19.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.502 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 1.1 mmp_? -57.19 -21.76 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.91 -12.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.573 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 7.2 m-70 -89.31 -15.66 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.438 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 54.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.931 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.7 t -92.7 136.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.76 3.48 2.75 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.0 t80 -96.02 133.23 25.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.76 -53.83 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.608 2.206 . . . . 0.0 112.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.79 43.98 3.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.8 t -134.61 -58.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.42 27.65 68.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 20.5 tptt -95.04 152.32 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.931 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.1 mt -140.13 143.1 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -127.89 129.25 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.59 -3.02 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -123.19 131.26 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -59.09 -47.91 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -55.21 -36.26 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.12 -37.5 85.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.49 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.4 tp -70.65 -51.56 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 41.9 pttt -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 53.6 mt -67.06 -28.81 44.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.483 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 40.5 t60 -81.49 -24.22 36.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.418 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 5.5 mtpm? -78.02 -35.97 49.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.5 ptp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -122.63 138.0 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -47.67 127.16 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.84 -11.06 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.03 122.69 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 127' ' ' GLY . 37.4 tt0 -62.57 158.55 17.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 126' ' ' GLU . . . 57.33 15.36 15.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.04 141.57 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -123.02 107.33 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -145.31 175.0 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -149.68 118.85 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 68.5 m-85 -123.74 154.36 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.48 -16.47 16.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 0.7 OUTLIER -132.98 142.39 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -55.09 -36.19 65.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.3 m -55.83 -55.3 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.515 ' HB2' ' ND2' ' A' ' 134' ' ' ASN . 6.5 t0 -51.06 -52.68 40.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 9.5 ttp180 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -60.38 -38.17 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -62.9 -19.53 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.6 t60 -86.78 -0.64 56.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.89 -21.81 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -54.82 -20.87 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.597 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.56 116.62 32.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.686 ' O ' HG22 ' A' ' 34' ' ' THR . 5.3 mt -106.32 167.94 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.9 m -143.6 144.33 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 102.06 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -92.63 99.0 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CD2' ' CD2' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.01 108.54 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.43 HG22 ' NZ ' ' A' ' 28' ' ' LYS . 6.1 mt -110.96 103.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.45 -72.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 41.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 5.0 pt20 -59.87 156.61 13.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 24' ' ' LEU . 7.0 tp -83.76 -5.29 59.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -103.82 154.32 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.9 tpt180 -152.98 140.11 12.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.74 172.39 49.14 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.377 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' NZ ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -47.16 108.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 165.31 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.8 p -112.75 148.58 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 138.96 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -104.76 122.31 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.91 165.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -145.83 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 34' ' ' THR . 1.1 m-85 -152.81 164.2 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.0 p -96.82 -31.38 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 p -125.28 158.51 33.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.48 ' SD ' HG21 ' A' ' 86' ' ' THR . 22.9 tpp -58.49 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -47.61 -40.12 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.52 -39.6 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 11.8 tp -71.66 -47.93 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -56.66 -54.22 31.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.0 m -47.95 -28.3 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.4 t60 -82.89 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.595 HG12 HD13 ' A' ' 82' ' ' ILE . 20.7 t -54.19 -21.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.4 m -92.92 -56.46 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.7 mtt -87.9 -49.91 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 35.8 mm-40 -70.68 3.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.58 ' CD2' ' CD2' ' A' ' 18' ' ' TRP . 2.6 m80 -142.88 -73.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.9 t -69.97 -2.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.36 -165.27 46.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.3 -166.63 27.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -3.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -80.4 -20.94 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -75.63 155.02 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -67.99 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -82.38 109.36 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.836 ' HB3' HD23 ' A' ' 78' ' ' LEU . 31.8 m80 -102.34 110.44 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.73 134.31 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.504 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 117.38 32.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -102.45 97.21 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 4.9 t-105 -90.73 145.22 24.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 19' ' ' ILE . 5.4 tm-20 -43.14 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -158.79 33.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.49 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.2 134.06 4.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -87.23 -18.02 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 69.64 31.81 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.13 58.27 9.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -103.86 115.03 29.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -47.05 170.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.26 179.59 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -82.89 -22.58 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.956 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -144.84 172.5 12.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.059 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 1.5 tmtm? -70.72 -48.88 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 48.3 p90 -62.52 -24.09 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.956 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 12.4 mmmm -60.34 -40.41 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.836 HD23 ' HB3' ' A' ' 58' ' ' HIS . 6.2 tp -78.14 -41.92 33.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.0 t -51.7 -37.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 95.0 m-20 -70.65 -36.63 73.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.8 t60 -58.93 -47.36 85.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.595 HD13 HG12 ' A' ' 45' ' ' VAL . 3.2 mt -55.06 -17.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 14.1 mmm180 -67.74 -23.04 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 81' ' ' HIS . 2.8 m -83.3 -20.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.49 -9.66 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.48 HG21 ' SD ' ' A' ' 38' ' ' MET . 2.3 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.887 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.83 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.8 135.82 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -99.15 132.46 23.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.3 Cg_endo -69.79 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.36 39.91 2.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.2 t -133.76 -44.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.27 29.28 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -93.32 151.33 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.887 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.0 mt -141.15 142.28 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -127.64 136.36 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 -14.96 61.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -109.98 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -61.9 -48.98 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -57.19 -28.93 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -70.48 -55.3 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.581 HD23 ' CD1' ' A' ' 91' ' ' PHE . 15.6 tp -56.9 -56.08 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.541 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 7.9 ptmt -48.52 -50.27 32.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.541 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 82.0 mt -63.01 -31.85 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.461 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 2.2 t-80 -81.96 -19.94 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.479 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 11.6 mtpt -75.6 -30.03 59.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 10.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 62.0 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.9 136.5 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.77 114.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.26 -14.07 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.2 t80 -71.25 119.9 16.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.46 150.94 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.56 9.2 58.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.51 150.49 28.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.19 106.92 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.467 ' NE ' ' CE1' ' A' ' 141' ' ' HIS . 26.0 mmt180 -142.53 -178.69 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -164.3 118.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 130' ' ' ARG . 7.9 m-85 -138.06 155.52 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -104.91 -10.52 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 8.1 p-10 -134.94 138.62 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 1.3 t -54.59 -47.32 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.9 m -44.56 -39.44 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.509 ' HB2' ' ND2' ' A' ' 134' ' ' ASN . 5.7 t70 -71.49 -45.28 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -57.83 -48.78 78.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -65.41 -20.02 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.22 -20.54 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.0 t60 -86.74 -0.44 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 mmt -88.01 -22.35 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -54.82 -20.02 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.87 -15.29 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.784 0.325 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -84.59 127.85 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 37' ' ' THR . 56.2 mt -92.01 159.8 15.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.4 p -128.51 127.33 42.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 45' ' ' VAL . 7.4 t -123.97 103.32 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.34 98.74 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 6.8 t-105 -107.15 125.64 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 63' ' ' GLU . 3.6 mt -124.11 110.02 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.76 139.13 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 8.8 mt-10 -76.83 -30.03 56.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.55 27.02 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG2' ' HZ2' ' A' ' 28' ' ' LYS . 13.1 pt20 -79.88 135.66 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.9 2.98 40.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 124.65 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -134.48 148.08 66.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 141.66 66.65 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.329 -0.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' PRO . 27.8 mttm -33.36 114.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.9 -178.01 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -115.44 142.74 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.47 176.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.36 115.67 12.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' THR . 7.7 tpm_? -173.36 153.21 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t -155.99 161.02 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 40' ' ' GLU . 37.2 m-85 -153.01 170.83 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -85.87 -40.6 15.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' HD11 ' A' ' 14' ' ' LEU . 7.6 p -115.19 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.551 ' SD ' HD23 ' A' ' 41' ' ' LEU . 23.2 tpp -64.26 -55.28 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -42.08 -34.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 35.3 mm-40 -67.53 -42.53 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 ' SD ' ' A' ' 38' ' ' MET . 9.8 tp -67.54 -44.29 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -51.47 -50.93 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.6 m -51.42 -28.27 12.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.1 t60 -82.98 -62.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.704 HG11 ' CG2' ' A' ' 82' ' ' ILE . 19.3 t -54.06 -21.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -92.98 -56.5 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -88.03 -49.72 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 57.9 mm-40 -70.74 3.62 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.698 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.5 m-70 -142.99 -74.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 50' ' ' VAL . 53.2 t -69.07 -2.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.1 -152.86 48.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.34 -166.72 22.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -12.13 32.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.9 tp10 -90.86 -4.16 56.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' ASN . 9.0 tt0 -66.93 111.77 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 p-10 -35.65 -77.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -107.8 131.14 54.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.56 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -108.38 106.38 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -139.29 127.26 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -94.97 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 44.1 m-85 -101.58 96.99 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.771 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.95 145.02 25.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 19' ' ' ILE . 1.4 tm-20 -43.24 -25.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' OE1' ' CD ' ' A' ' 63' ' ' GLU . 13.9 pm0 -154.5 31.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.498 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -42.82 134.13 2.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -23.16 31.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.611 2.207 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.1 mtp85 -87.07 -18.96 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 71.16 32.49 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.1 53.41 33.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 107.42 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -50.43 148.65 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 8.1 m-85 -101.35 -179.63 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -98.16 20.23 12.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.775 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -174.01 178.14 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' CD ' ' ND1' ' A' ' 58' ' ' HIS . 2.2 mmmp? -86.75 -47.09 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 77' ' ' LYS . 23.4 p90 -64.32 -24.23 67.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.775 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 14.1 mmmm -67.73 -40.3 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 13.3 tp -82.9 -49.89 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' LYS . 73.1 t -48.76 -37.73 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -69.87 -36.55 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.8 t60 -59.29 -43.53 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.704 ' CG2' HG11 ' A' ' 45' ' ' VAL . 3.0 mt -54.03 -23.96 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -64.53 -25.01 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 81' ' ' HIS . 2.5 m -77.23 -21.98 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.771 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.74 -20.39 60.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.894 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.71 -165.7 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.5 t -92.95 136.01 25.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.49 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.27 2.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.1 t80 -103.25 127.0 30.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.75 -52.93 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.36 -3.16 11.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 14.7 t -99.48 -54.39 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.97 28.46 53.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -95.4 148.95 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.894 HG23 ' HA ' ' A' ' 92' ' ' PRO . 1.7 mt -131.94 139.41 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 2.8 m-85 -124.53 149.6 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.43 -14.09 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -110.01 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -62.87 -43.11 99.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HG2' HD12 ' A' ' 110' ' ' ILE . 28.7 tt0 -64.52 -25.0 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.68 -46.46 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.7 HD11 ' HD2' ' A' ' 112' ' ' LYS . 7.1 tp -60.0 -53.32 59.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 13.6 ptmt -53.84 -50.08 67.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 65.0 mt -64.65 -27.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.578 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 22.0 t60 -81.87 -22.37 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.7 ' HD2' HD11 ' A' ' 108' ' ' LEU . 16.9 mtpt -84.35 -32.35 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.437 ' CB ' ' HB2' ' A' ' 132' ' ' PHE . 90.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 137.04 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.3 t -51.27 114.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.29 -3.89 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.778 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -75.04 120.62 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -63.95 150.87 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.48 15.78 57.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.48 137.5 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 1.9 p30 -116.15 105.99 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 12.2 mmt180 -153.44 -175.17 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -156.89 151.73 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 28.2 m-85 -150.11 163.99 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' C ' ' CD2' ' A' ' 121' ' ' PHE . . . -117.13 -15.61 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.43 129.42 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -41.9 -35.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -55.73 -46.59 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.47 -46.05 77.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 10.9 ttp85 -60.1 -32.24 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.39 -22.19 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 37.7 mtpt -80.33 -20.99 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 52.4 t60 -85.02 -2.71 58.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.1 mmt -87.94 -21.32 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.94 -20.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.79 -16.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.778 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 21.6 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.769 0.318 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -85.16 133.18 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 41' ' ' LEU . 13.3 mt -105.47 167.23 9.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -153.31 141.97 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -128.38 95.9 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 98.81 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 13.0 t-105 -107.17 123.53 48.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -123.86 101.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.69 136.38 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.38 -28.21 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.84 22.3 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.418 ' CD ' ' HD2' ' A' ' 28' ' ' LYS . 6.7 pt20 -81.6 136.03 35.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -89.98 -2.38 58.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 130.64 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 6.0 tpt180 -136.46 133.02 19.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.72 166.35 74.17 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.334 -0.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HD2' ' CD ' ' A' ' 23' ' ' GLN . 3.2 mmmm -50.88 134.58 25.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -112.43 163.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.46 147.24 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -53.06 111.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -90.4 97.29 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -149.92 162.86 39.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -146.75 151.0 36.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -145.78 167.7 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -111.0 -28.28 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -118.36 146.7 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.489 ' SD ' HD23 ' A' ' 41' ' ' LEU . 14.9 tpp -63.08 -40.34 97.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -48.32 -40.53 25.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 14' ' ' LEU . 24.8 tp -58.34 -25.65 62.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.09 -59.1 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.47 -28.94 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -82.44 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.772 ' CG1' HG21 ' A' ' 82' ' ' ILE . 85.3 t -54.1 -21.61 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.0 m -93.13 -56.38 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.4 mtt -88.2 -49.81 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.7 mm-40 -70.44 3.12 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.505 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.67 -71.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 82' ' ' ILE . 2.5 t -70.51 -11.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 59.04 158.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.57 -167.68 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.53 28.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.01 -26.68 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASN . 25.3 mt-30 -79.95 93.48 5.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLN . 20.4 m-80 -35.85 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -84.1 96.44 8.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.523 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -95.2 115.02 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 t -138.0 131.88 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -93.92 119.8 33.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -104.53 97.38 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.631 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.9 t-105 -90.84 145.87 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -47.34 -19.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -157.81 32.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.496 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.3 t -47.22 134.34 9.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.48 34.55 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 12.6 mmp_? -85.82 -18.17 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 5.8 mt-10 66.85 38.74 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.87 47.47 91.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -100.4 99.89 10.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -35.46 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 46.8 m-85 -95.67 170.42 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -26.51 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -142.13 172.71 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 3.8 tmtt? -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.478 ' CD1' ' HG2' ' A' ' 77' ' ' LYS . 5.6 p90 -60.39 -28.74 68.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.536 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 19.8 mmmt -66.42 -40.4 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 58' ' ' HIS . 11.0 tp -66.56 -37.98 86.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.64 -44.86 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -64.5 -24.33 67.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.581 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 t60 -68.83 -50.39 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.772 HG21 ' CG1' ' A' ' 45' ' ' VAL . 2.5 mt -52.37 -20.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -59.73 -22.76 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.6 m -86.11 -19.1 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.631 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.5 m-70 -74.86 -12.75 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.908 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.6 Cg_endo -69.73 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.9 t -94.46 135.97 23.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.23 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -97.78 132.21 25.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 52.8 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.42 45.08 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 20.7 t -134.36 -46.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.38 28.4 20.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 24.3 tptt -96.44 151.54 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.908 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.4 mt -140.15 139.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -124.71 160.02 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.22 -12.77 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -110.11 134.72 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.676 ' O ' HD12 ' A' ' 110' ' ' ILE . 61.3 mm-40 -62.96 -29.03 70.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.0 -54.35 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.2 tp -57.57 -47.84 80.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 1.7 ptmm? -62.27 -46.92 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 106' ' ' GLU . 47.9 mt -69.71 -27.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.516 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 3.8 t-80 -82.04 -26.05 34.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -74.6 -28.02 60.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 7.7 ptp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.493 ' CE1' ' OG ' ' A' ' 135' ' ' SER . 97.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 123' ' ' CYS . 13.9 ttmm -122.94 128.79 50.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 122' ' ' LYS . 17.8 t -36.84 124.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.54 -4.93 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.416 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -74.39 122.74 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.93 137.26 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.1 79.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -120.93 142.16 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -122.48 109.16 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.522 ' HG3' ' CE1' ' A' ' 141' ' ' HIS . 25.4 mmt180 -145.39 -176.54 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -153.99 121.52 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -128.19 157.5 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.92 -21.29 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.79 130.31 37.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 121' ' ' PHE . 3.4 m -43.83 -41.85 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -47.98 -55.37 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.7 -52.16 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -45.16 -43.48 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -38.52 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 0.5 OUTLIER -65.35 -19.2 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 130' ' ' ARG . 10.0 t-80 -84.82 -2.26 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.93 -21.77 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.88 -20.4 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -12.29 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.8 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.94 123.45 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mt -97.07 163.97 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 m -146.87 131.07 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.529 ' HB2' HD11 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -116.64 116.93 28.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -99.46 98.63 9.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.5 t-105 -107.32 125.9 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -124.02 102.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 51.0 t0 -85.73 114.85 23.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.25 -27.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -109.16 42.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -50.58 175.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -108.36 -17.65 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -130.71 156.78 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -132.64 156.59 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.356 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 27' ' ' PRO . 29.8 mtpt -33.96 107.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.86 157.73 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -84.2 150.74 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.0 137.24 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.06 102.56 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.5 ttt85 -170.46 161.82 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.533 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -149.48 166.77 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 34' ' ' THR . 44.5 m-85 -151.94 170.74 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 p -117.15 -26.34 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -112.21 161.17 16.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 6.8 tpt -65.29 -55.82 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -48.67 -36.75 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -58.32 -41.98 85.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' CD2' HG22 ' A' ' 86' ' ' THR . 57.5 tp -70.15 -57.15 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.74 -55.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.488 HG23 ' SD ' ' A' ' 47' ' ' MET . 1.2 m -54.39 -25.75 26.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.7 t60 -83.27 -62.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.725 HG11 ' CG2' ' A' ' 82' ' ' ILE . 31.3 t -54.48 -21.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLY . 21.6 m -93.4 -54.04 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 43' ' ' THR . 4.5 mtt -88.28 -51.28 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 mt-10 -70.81 4.29 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -142.31 -74.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 50' ' ' VAL . 63.3 t -69.05 -4.18 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 71.58 -163.87 54.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.38 -169.3 30.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -80.1 -28.63 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -64.69 150.57 46.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.3 t-20 -94.02 -74.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -80.48 119.55 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 1.7 m80 -109.44 112.62 24.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 t -136.9 128.31 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.581 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -103.86 116.12 31.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -101.33 97.36 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.7 t-105 -90.68 145.54 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 83.8 tt0 -46.73 -19.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' HG3' ' C ' ' A' ' 63' ' ' GLU . 55.4 mt-10 -158.07 33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.482 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 2.9 t -49.06 134.79 15.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -24.75 29.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.456 ' NE ' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 9.4 mt-10 76.42 32.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.82 38.53 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -99.55 98.75 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 p -48.69 157.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -102.49 -175.65 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -109.46 17.34 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -178.21 160.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.57 -52.03 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.6 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 54.3 p90 -54.84 -32.68 60.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.767 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.9 mmmm -62.28 -40.39 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' CD2' ' CB ' ' A' ' 58' ' ' HIS . 11.3 tp -77.43 -50.8 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.0 t -50.07 -38.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 53.6 m-20 -72.69 -33.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 t60 -59.49 -44.3 93.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.725 ' CG2' HG11 ' A' ' 45' ' ' VAL . 2.2 mt -55.13 -20.55 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 20.6 mmm180 -59.66 -35.0 73.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.4 m -71.75 -22.12 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -74.83 -22.41 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 41' ' ' LEU . 67.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.711 ' HD1' HD23 ' A' ' 108' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.642 0.734 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.707 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.7 Cg_endo -69.72 -165.42 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -93.69 134.97 25.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HG3' ' NZ ' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 -16.5 37.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.05 125.89 91.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 128.06 15.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 84.87 -5.99 80.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 34.5 t -79.9 -32.44 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.4 29.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG3' ' CZ ' ' A' ' 102' ' ' PHE . 9.5 tptm -97.57 138.63 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' A' ' 92' ' ' PRO . 7.3 mt -133.37 156.6 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 100' ' ' LYS . 1.5 m-85 -140.5 131.63 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -15.72 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -110.05 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -56.41 -52.34 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.52 -44.95 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -56.17 -46.86 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.711 HD23 ' HD1' ' A' ' 91' ' ' PHE . 1.2 tp -66.34 -51.42 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -54.53 -50.15 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.54 -39.6 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.3 t60 -74.88 -20.52 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.4 mtpp -82.24 -31.81 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 113' ' ' ARG . 3.5 ptm85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 84.9 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -119.53 129.47 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.7 t -39.04 118.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.53 -7.28 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.706 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.5 t80 -72.26 122.3 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.62 151.07 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.11 9.08 39.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.62 144.96 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -122.5 106.36 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 30.1 mmt180 -150.15 -175.62 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.2 139.92 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -146.12 148.78 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -98.04 -14.54 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 1.6 p-10 -137.59 146.88 44.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.535 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 21.3 t -61.34 -26.11 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.2 t -66.0 -46.14 79.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.449 ' HB2' ' ND2' ' A' ' 134' ' ' ASN . 5.8 t0 -62.36 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -58.59 -53.27 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -57.4 -22.57 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -79.03 -21.24 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 46.0 t60 -86.76 -1.02 57.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.9 -20.51 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -56.09 -20.11 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.41 -15.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.706 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.4 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.729 0.3 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.33 134.83 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 37' ' ' THR . 7.1 mt -106.72 167.9 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -135.6 152.25 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 t -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -97.62 98.96 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.673 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 17.6 t-105 -107.26 124.92 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mt -124.0 101.04 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -78.28 135.47 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -72.91 -36.79 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.45 35.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -78.87 136.56 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.8 tt -81.57 0.12 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -98.9 132.47 44.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.556 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.4 tpp85 -139.84 140.43 24.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 164.02 80.31 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.325 -0.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -46.43 133.57 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.07 168.88 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 p -112.91 134.07 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -44.82 137.71 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -107.95 105.12 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -161.27 156.22 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 p -146.68 159.69 43.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -149.37 169.78 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -92.23 -47.15 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' HD11 ' A' ' 14' ' ' LEU . 1.3 p -113.26 163.06 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.6 ' SD ' HG21 ' A' ' 86' ' ' THR . 16.4 tpp -59.76 -53.86 53.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.98 -41.5 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.43 -46.61 89.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.02 -49.75 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.55 -53.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.1 m -50.84 -29.6 12.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.5 t60 -82.31 -62.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.509 HG11 ' CG2' ' A' ' 82' ' ' ILE . 17.7 t -53.8 -21.98 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.7 m -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.8 mm-40 -70.64 3.02 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -141.82 -73.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.766 HG21 HD11 ' A' ' 82' ' ' ILE . 54.4 t -69.69 -2.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.44 175.22 17.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.44 31.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.533 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.32 6.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -115.66 56.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -123.98 131.1 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -51.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -113.32 131.44 55.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.683 ' HB3' HD23 ' A' ' 78' ' ' LEU . 9.7 m80 -103.67 107.1 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.3 127.16 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -101.71 118.0 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -102.61 97.2 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.594 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.57 145.55 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -44.08 -21.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 62' ' ' TRP . 43.5 mt-10 -158.66 33.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.9 t -45.33 134.03 5.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.31 36.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -89.95 -11.88 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 65.0 40.67 5.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.91 60.4 9.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 128.82 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.7 p -58.01 177.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -126.39 179.27 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -77.67 -23.36 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.772 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -148.92 173.88 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HD3' ' CD2' ' A' ' 58' ' ' HIS . 9.9 tptp -69.55 -57.19 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' A' ' 77' ' ' LYS . 20.4 p90 -55.32 -17.41 4.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.772 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 1.1 mmmp? -72.15 -39.28 68.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.683 HD23 ' HB3' ' A' ' 58' ' ' HIS . 5.0 tp -78.52 -40.9 33.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.53 -46.53 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -60.9 -37.98 84.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.521 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.6 t60 -58.14 -48.89 78.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.766 HD11 HG21 ' A' ' 50' ' ' VAL . 3.9 mt -52.64 -25.55 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -63.25 -28.08 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 81' ' ' HIS . 1.4 m -76.22 -20.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.594 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.35 -9.29 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.6 HG21 ' SD ' ' A' ' 38' ' ' MET . 2.5 p . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.973 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.82 135.91 22.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.403 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.3 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -95.43 132.92 26.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.78 -53.91 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 41.97 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 17.4 t -134.66 -55.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 28.07 56.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.596 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 31.4 tptt -94.35 148.96 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.973 HG23 ' HA ' ' A' ' 92' ' ' PRO . 1.9 mt -134.54 146.29 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.596 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -130.52 125.77 35.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.82 -15.38 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 106' ' ' GLU . 5.0 ttt180 -109.93 131.07 55.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.0 p -55.05 -60.59 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 104' ' ' ARG . 10.2 mm-40 -47.87 -39.82 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 104' ' ' ARG . 76.6 m-20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.7 tp -75.1 -49.17 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -64.01 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.4 mt -76.5 -30.64 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 12.0 t60 -79.02 -54.79 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 16.8 mtpt -47.35 -30.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 86.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.922 0.391 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -109.45 137.85 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 51.7 t -40.63 118.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.33 -9.27 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.16 126.83 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -66.2 156.06 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.15 6.45 13.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.31 143.03 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.59 107.06 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -146.85 170.21 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 137.42 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' PHE . 20.4 m-85 -147.83 159.75 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -112.16 -21.27 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -129.47 134.12 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.7 t -48.98 -31.97 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.6 m -58.97 -40.5 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -72.95 -40.56 65.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -64.06 -45.16 89.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -22.0 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -77.78 -18.94 55.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -86.42 0.04 54.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.95 -20.53 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -56.23 -20.16 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.95 -12.47 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.665 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.52 127.81 34.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 11.3 mt -95.97 163.41 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -144.67 140.62 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 101.86 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 98.99 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.63 ' CD2' ' CD2' ' A' ' 49' ' ' HIS . 17.2 t-105 -107.16 123.96 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -123.91 100.28 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 23' ' ' GLN . 4.0 t0 -71.94 136.88 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 2.5 mt-10 -74.97 -33.38 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.25 39.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.473 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 10.6 pt20 -76.77 147.15 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -91.8 4.74 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.49 132.79 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 1.2 tmm_? -134.95 137.35 27.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 173.64 43.65 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 36.9 mmtt -54.9 118.36 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -105.56 161.01 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -109.06 145.73 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.55 120.9 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -92.03 100.45 13.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' A' ' 44' ' ' HIS . 11.0 mmp_? -143.14 164.25 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -153.54 148.26 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 68.0 m-85 -144.76 156.53 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -96.95 -24.12 15.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.3 p -123.23 156.24 35.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 22.7 tpp -61.37 -55.97 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -44.81 -44.0 9.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 8.0 mm-40 -54.92 -48.23 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 25.4 tp -61.81 -52.09 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -54.04 -52.89 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -27.75 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.4 t60 -83.07 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 82' ' ' ILE . 15.6 t -54.16 -21.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.6 m -92.98 -56.61 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -87.77 -49.84 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.535 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.9 mm-40 -70.76 3.88 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.63 ' CD2' ' CD2' ' A' ' 18' ' ' TRP . 2.4 m80 -143.06 -73.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 50' ' ' VAL . 55.6 t -69.65 -2.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 63.92 -159.83 39.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.99 -162.47 24.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.21 34.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.61 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.89 149.51 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -94.66 -70.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -83.7 114.83 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.796 ' HB3' HD23 ' A' ' 78' ' ' LEU . 26.2 m80 -107.3 106.42 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.14 133.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.576 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.94 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.548 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 37.4 m-85 -100.9 97.34 7.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.709 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.48 145.46 24.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.32 -22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' TRP . 21.2 pt-20 -159.63 32.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.8 t -42.81 134.03 2.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -14.95 36.66 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 5.7 mmp_? -90.31 -33.85 15.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 74.02 40.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' SER . . . 87.14 -23.21 11.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLY . 4.8 tmtm? -38.05 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLY . 37.2 t -59.59 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.7 m-85 -136.04 13.87 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm 44.69 24.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.589 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -152.29 168.03 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -92.71 -58.69 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.646 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 39.5 p90 -59.95 -12.33 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.646 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.9 mmmt -83.87 -40.98 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 58' ' ' HIS . 10.0 tp -82.16 -39.98 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.07 -45.61 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -27.44 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.8 t60 -66.67 -48.07 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.678 HD13 HG12 ' A' ' 45' ' ' VAL . 2.5 mt -51.93 -23.08 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -57.07 -32.02 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.4 m -74.56 -23.75 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.709 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -70.86 -13.46 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.763 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.83 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.356 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.08 135.23 30.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -21.17 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.96 127.79 93.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.42 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.62 -5.16 85.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 37.3 t -80.06 -32.24 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 37.67 27.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 20.1 tptt -94.67 141.27 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.763 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.5 mt -134.94 152.56 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.2 m-85 -138.06 121.71 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.56 -11.59 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -110.09 131.09 55.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -63.29 -36.84 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.598 ' HG2' HD12 ' A' ' 110' ' ' ILE . 23.5 tt0 -71.3 -28.05 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.48 -39.96 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.99 -52.77 54.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 10.8 ptmt -59.33 -45.29 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.598 HD12 ' HG2' ' A' ' 106' ' ' GLU . 69.8 mt -66.98 -25.62 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 4.5 t60 -79.91 -55.84 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -44.95 -36.9 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 123' ' ' CYS . 24.2 ttpt -112.99 136.01 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' LYS . 41.3 t -35.36 111.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.29 -8.62 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.485 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -72.17 130.57 41.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.59 4.78 81.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.0 t -109.33 144.09 37.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -123.32 108.02 12.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -147.66 -179.39 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -147.43 133.9 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.03 160.26 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.36 -9.24 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.02 132.59 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 t -49.01 -32.04 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -60.47 -54.6 43.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.8 -42.39 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -62.29 -49.79 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.45 -23.04 66.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 5.8 mtpm? -78.58 -18.68 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.6 t60 -85.53 -2.28 57.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.75 -22.0 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.88 -20.92 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.6 -14.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.485 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.2 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -90.61 127.38 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -101.97 166.41 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -134.16 138.38 45.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.91 97.51 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -89.17 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.17 126.3 52.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.575 HD12 ' CD ' ' A' ' 63' ' ' GLU . 1.8 mt -123.57 103.79 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.85 128.82 34.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 5.4 mt-10 -65.69 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.46 26.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.59 129.56 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.01 -6.13 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -80.49 132.22 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 10.8 tpt85 -138.08 132.63 17.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 176.52 32.27 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.352 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.5 118.3 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -109.83 146.37 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 p -90.26 144.7 25.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 150.44 22.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.55 135.64 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -172.83 161.18 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.5 p -137.32 151.0 48.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -148.59 158.71 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -87.55 -38.47 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -124.76 164.35 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.561 ' SD ' HG21 ' A' ' 86' ' ' THR . 20.9 tpp -59.51 -54.43 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -55.63 -43.37 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 45' ' ' VAL . 10.8 tp -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.79 -51.81 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.4 m -50.04 -29.08 8.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.8 t60 -82.77 -62.79 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.632 ' CG1' HG21 ' A' ' 82' ' ' ILE . 17.0 t -53.9 -21.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 10.2 m -93.11 -56.87 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.6 mtt -86.94 -50.07 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 51.3 mm-40 -70.87 3.4 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.596 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.1 m-70 -142.03 -73.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.797 HG21 HD11 ' A' ' 82' ' ' ILE . 55.3 t -70.09 -2.7 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.63 -169.12 45.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.25 -162.27 34.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.46 30.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.01 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -41.66 121.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.57 -75.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.09 106.32 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.663 ' HB2' HD23 ' A' ' 78' ' ' LEU . 2.2 p80 -105.79 123.08 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.03 138.23 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.85 116.02 29.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 36.8 m-85 -102.08 97.09 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.748 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.45 145.46 24.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' CD ' HD12 ' A' ' 19' ' ' ILE . 6.1 tp10 -43.62 -21.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.6 mm-40 -159.55 34.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -45.65 133.87 6.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -20.02 35.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -89.8 -14.2 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 69.58 33.91 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.32 18.53 73.42 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -69.77 123.85 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.925 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -62.17 173.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.89 -175.62 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.81 -6.69 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -153.49 167.82 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -70.32 -58.36 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -54.61 -22.68 14.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 mmpt? -66.61 -40.06 88.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 58' ' ' HIS . 8.3 tp -78.13 -46.37 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.88 -40.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.07 -31.34 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.465 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.9 t60 -64.34 -48.71 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.797 HD11 HG21 ' A' ' 50' ' ' VAL . 2.1 mt -55.56 -21.87 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 15.1 mmt85 -63.32 -22.1 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 81' ' ' HIS . 1.5 m -85.33 -20.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.748 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 3.3 m-70 -69.95 -12.31 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.561 HG21 ' SD ' ' A' ' 38' ' ' MET . 16.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.79 ' HD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.913 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.7 Cg_endo -69.75 -168.64 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.98 135.35 30.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.15 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.2 t80 -69.16 133.6 89.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.64 40.97 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -136.01 -52.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 50.15 28.47 13.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 7.5 tptm -91.78 151.28 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.0 mt -139.82 156.15 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -138.88 153.37 48.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 83' ' ' ARG . . . -83.81 -11.96 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -111.06 138.05 47.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -70.18 -36.33 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 3.7 tt0 -71.2 -24.16 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.61 -40.78 66.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.893 HD21 ' O ' ' A' ' 92' ' ' PRO . 3.4 tp -70.13 -52.18 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -54.5 -35.67 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 106' ' ' GLU . 96.7 mt -81.48 -28.81 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 7.4 t60 -81.86 -23.08 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.95 -29.02 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 94.3 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.858 0.361 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -113.05 137.67 51.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.97 118.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.47 -2.64 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.406 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.14 130.7 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.8 139.11 48.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 75.04 17.75 80.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.86 144.74 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.81 106.03 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -151.23 174.0 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 142.77 22.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -148.41 163.62 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -111.7 -21.92 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.476 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 4.0 p-10 -126.67 132.56 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' A' ' 121' ' ' PHE . 1.1 t -43.98 -52.62 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -40.13 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.476 ' HB2' ' ND2' ' A' ' 134' ' ' ASN . 7.5 t0 -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -54.69 -47.25 73.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -67.41 -18.88 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -83.86 -18.46 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.7 t60 -86.69 0.28 54.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -88.03 -21.19 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -55.17 -21.16 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.28 -12.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.406 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.74 0.305 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.57 129.37 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.44 157.01 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -125.02 142.77 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 45' ' ' VAL . 1.3 t -129.24 100.24 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 2.8 mmmm -93.86 98.69 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.733 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.2 t-105 -107.04 123.2 47.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.842 HG23 HE22 ' A' ' 23' ' ' GLN . 3.8 mt -119.24 112.68 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 17.4 t70 -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.92 -28.63 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.39 24.44 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.842 HE22 HG23 ' A' ' 19' ' ' ILE . 1.9 pt20 -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.59 12.47 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.98 121.05 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.55 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.3 mmt-85 -123.95 148.33 56.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.84 147.37 84.67 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.337 0.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 23' ' ' GLN . 32.8 mttp -33.26 107.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.03 -177.97 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -113.55 148.92 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.32 160.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -118.1 117.88 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 20.5 tpt85 -173.84 154.56 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -140.76 156.44 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.45 154.41 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -96.71 -31.24 12.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -117.26 163.13 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.417 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 9.2 tpp -63.95 -56.05 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -43.98 -46.86 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.09 -44.16 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.674 ' CD2' HG22 ' A' ' 86' ' ' THR . 11.3 tp -62.57 -49.06 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.33 -52.71 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 m -50.11 -25.72 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.3 t60 -83.21 -62.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.649 HG11 ' CG2' ' A' ' 82' ' ' ILE . 20.9 t -54.27 -21.85 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.7 m -93.02 -56.18 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -88.18 -49.81 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 41.4 mm-40 -70.74 3.92 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.733 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.16 -74.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.637 HG21 HD11 ' A' ' 82' ' ' ILE . 54.2 t -69.24 -3.1 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.29 -161.78 50.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.491 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.21 -158.28 34.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -51.09 -24.34 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -48.97 103.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.43 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.57 98.77 8.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 108.66 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.625 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 14.0 t -135.83 141.27 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.53 113.73 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.625 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 5.0 m-85 -112.31 97.53 6.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.8 t-105 -91.0 146.47 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HG3' HD12 ' A' ' 19' ' ' ILE . 82.8 tt0 -37.7 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.6 pp20? -148.32 48.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.565 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 53.0 t -84.11 136.02 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -24.67 29.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.582 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 19.9 mmm180 -67.09 -34.15 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 53.38 21.95 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.589 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 114.48 -23.58 12.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -49.1 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -59.19 -175.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 55.4 m-85 -119.06 164.09 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.59 -11.06 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -150.16 171.89 16.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -53.72 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.558 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 30.8 p90 -54.5 -30.67 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.9 mmmm -64.6 -40.96 96.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.529 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 8.3 tp -77.71 -54.97 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.0 t -44.2 -47.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.49 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.933 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.9 t60 -61.75 -33.6 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.649 ' CG2' HG11 ' A' ' 45' ' ' VAL . 4.5 mt -63.42 -31.21 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -60.35 -15.7 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.2 m -82.57 -11.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -96.24 -12.04 25.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.674 HG22 ' CD2' ' A' ' 41' ' ' LEU . 2.3 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.647 0.736 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.87 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.74 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -90.76 133.81 31.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.41 4.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -94.85 127.84 41.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.5 13.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.46 -4.78 85.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 100' ' ' LYS . 19.9 t -81.85 -27.26 33.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.5 28.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.598 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 21.7 tptt -98.26 146.82 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.87 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -141.8 148.46 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -131.25 123.81 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.38 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -110.03 131.35 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 -39.9 96.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -64.19 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.46 -36.97 79.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.3 tp -66.69 -50.97 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -55.76 -49.68 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 78.9 mt -64.39 -25.84 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.52 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 73.3 t60 -81.91 -31.35 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.6 -36.35 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 8.0 ptp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -122.93 130.36 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.2 t -41.13 127.25 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.66 -7.18 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.4 t80 -71.11 121.32 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 140.54 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.41 22.21 74.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.555 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 12.3 t -119.86 138.19 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.405 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 17.0 t70 -117.14 105.99 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 16.1 mmm180 -151.76 175.15 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -143.7 138.36 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -138.25 153.53 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.22 -7.75 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER -138.28 130.46 28.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.3 p -51.94 -23.09 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.6 m -74.61 -45.11 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 10.4 m-20 -63.84 -40.51 96.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -58.59 -57.9 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.45 -19.39 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.586 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.9 mttp -81.47 -19.39 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.9 t60 -84.74 -1.88 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.8 -22.51 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.84 -21.33 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.91 -14.73 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.596 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.06 133.83 34.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' O ' ' A' ' 37' ' ' THR . 10.4 mt -99.3 163.39 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -132.47 147.51 52.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 45' ' ' VAL . 3.0 t -143.53 105.36 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -100.14 98.76 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.4 t-105 -107.15 123.9 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mt -122.93 111.77 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -88.71 138.12 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.56 -27.16 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.97 14.92 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -80.32 154.98 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 24' ' ' LEU . 11.4 tp -107.87 -3.69 18.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.49 129.28 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.1 tpt180 -138.03 139.94 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.74 139.21 53.22 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' PRO . 17.9 mttm -34.43 131.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 27' ' ' PRO . 5.2 mmmt -114.25 176.48 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -111.8 147.79 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.86 131.77 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -95.17 109.65 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.7 ttt85 -176.72 164.07 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 1.1 p -152.78 168.33 26.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 45.2 m-85 -152.83 170.07 21.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -117.62 -17.85 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.466 ' O ' HD11 ' A' ' 14' ' ' LEU . 16.2 p -120.42 159.19 25.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.619 ' CE ' HD23 ' A' ' 41' ' ' LEU . 8.7 tpt -63.84 -56.01 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -45.49 -36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 5.7 mm-40 -60.48 -47.32 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.619 HD23 ' CE ' ' A' ' 38' ' ' MET . 45.1 tp -63.29 -56.56 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.2 t -54.86 -52.59 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -55.98 -26.73 49.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 38.0 t60 -83.03 -62.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.678 ' CG1' HG21 ' A' ' 82' ' ' ILE . 60.8 t -54.52 -21.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.1 m -93.0 -56.26 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.1 mtt -88.12 -49.88 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 7.9 mm-40 -70.82 4.08 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.17 -73.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.6 t -69.84 -2.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.48 -164.06 48.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.536 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.11 -158.83 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 53.2 Cg_endo -69.81 -19.94 35.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 55' ' ' GLN . 3.7 tp10 -64.11 -62.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' GLU . 17.9 mm-40 -36.23 119.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -75.28 -73.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -79.98 95.38 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.447 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -96.71 128.89 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 9.6 t -141.94 136.87 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.23 115.17 28.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.0 m-85 -112.42 97.52 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.4 t-105 -90.88 146.78 23.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' TRP . 15.3 tt0 -36.69 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' TRP . 51.4 mm-40 -147.15 48.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.572 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 48.5 t -86.89 136.04 34.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -25.63 28.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.563 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 24.6 mmm180 -66.49 -20.06 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER 34.43 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.543 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 98.64 30.76 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' ARG . 11.3 mmmt -98.52 95.73 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -62.64 163.36 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.51 161.13 15.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.2 ttpm? -78.75 5.83 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -163.82 158.73 20.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.11 -60.29 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.429 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 55.3 p90 -50.97 -19.72 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -79.0 -40.88 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 78' ' ' LEU . 3.3 tp -79.06 -36.56 40.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.43 HG12 ' CZ ' ' A' ' 83' ' ' ARG . 70.3 t -60.4 -58.21 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 76' ' ' TYR . 80.9 m-20 -53.36 -27.6 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.877 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.8 t60 -67.78 -36.9 81.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.678 HG21 ' CG1' ' A' ' 45' ' ' VAL . 6.9 mt -61.61 -26.26 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' ARG . 2.0 mpt_? -49.7 -39.78 38.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.877 HG22 ' O ' ' A' ' 81' ' ' HIS . 19.4 m -63.49 -24.17 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.7 1.27 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.432 ' HD1' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.839 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -90.23 135.7 29.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.436 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 1.48 4.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.8 t80 -95.67 132.7 26.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.94 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 42.61 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.436 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 33.9 t -132.57 -59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.91 27.15 70.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 6.7 tptm -94.38 151.02 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.839 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.6 mt -140.44 154.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -136.99 134.79 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.45 0.01 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -125.28 131.11 53.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.1 p -61.63 -47.09 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.8 ' OE2' HD12 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -60.53 -29.9 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.58 -51.17 61.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' HD1' ' A' ' 91' ' ' PHE . 50.6 tp -54.72 -53.98 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.17 -48.49 64.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.8 HD12 ' OE2' ' A' ' 106' ' ' GLU . 68.1 mt -64.21 -25.22 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.403 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 42.6 t60 -79.98 -43.79 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 5.9 mtpm? -57.03 -31.29 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -115.97 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.7 t -39.5 110.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.45 -11.33 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 145' ' ' HIS . 4.5 t80 -72.0 122.17 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 152.93 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.76 8.87 42.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.65 143.58 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -124.58 107.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -144.39 -177.31 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -149.94 126.71 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -136.72 160.82 37.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.91 -10.8 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.85 135.84 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -50.91 -27.86 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 m -66.4 -55.58 15.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.34 -42.42 77.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.85 -47.94 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -65.19 -17.75 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.12 -20.36 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 45.3 t60 -89.0 -2.4 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.96 -20.99 25.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -56.11 -20.19 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.17 -16.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 125' ' ' PHE . 21.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' CD ' ' N ' ' A' ' 14' ' ' LEU . 1.6 tp10 -82.62 131.49 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 13' ' ' GLU . 3.1 mt -125.27 159.31 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 p -134.08 127.83 32.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -100.3 91.93 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -81.71 98.71 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.671 ' CD2' ' CD2' ' A' ' 49' ' ' HIS . 14.9 t-105 -107.03 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.418 HG23 HE22 ' A' ' 23' ' ' GLN . 2.6 mt -120.79 100.27 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.27 128.88 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 6.9 mt-10 -69.61 -29.82 67.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.21 33.3 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.418 HE22 HG23 ' A' ' 19' ' ' ILE . 16.3 pt20 -77.39 122.78 25.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.0 tt -75.38 3.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.17 130.43 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 19.8 mmm-85 -133.98 155.87 79.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.8 155.12 93.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.383 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -48.75 110.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.17 136.09 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.29 122.26 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -97.24 125.74 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -177.75 161.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.5 p -137.26 159.4 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 m-85 -143.66 147.15 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -82.77 -22.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.1 171.66 13.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.715 ' SD ' HG21 ' A' ' 86' ' ' THR . 17.1 tpp -69.74 -55.91 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -46.87 -37.18 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.57 -34.98 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 10.1 tp -77.95 -51.1 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -51.77 -55.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -46.99 -30.85 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.539 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 39.0 t60 -80.28 -62.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.632 HG12 HD13 ' A' ' 82' ' ' ILE . 13.0 t -54.23 -21.76 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -93.12 -56.59 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.8 mtt -87.73 -49.88 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.539 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 47.6 mm-40 -70.76 3.79 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.671 ' CD2' ' CD2' ' A' ' 18' ' ' TRP . 2.4 m80 -142.78 -73.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 82' ' ' ILE . 55.8 t -70.08 -2.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 51.89 176.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -161.09 7.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.83 34.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.41 -15.4 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.538 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -86.92 106.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -55.87 -73.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.75 106.96 18.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.441 ' HB2' HG13 ' A' ' 50' ' ' VAL . 2.7 p-80 -107.42 121.88 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.45 136.54 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -105.1 117.53 34.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 21' ' ' GLU . 49.0 m-85 -103.56 97.22 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.5 t-105 -90.32 145.29 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -44.71 -21.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.548 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 5.1 tt0 -158.44 33.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.4 t -46.95 134.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -18.95 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.98 -13.45 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 63.03 37.49 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.9 64.18 4.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -112.04 136.09 51.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 p -61.66 168.62 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -122.12 -179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.18 -6.56 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.699 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -163.85 176.87 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -76.41 -58.41 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -52.34 -19.71 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.699 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.4 mmmt -72.41 -38.72 68.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 18.9 tp -82.04 -44.26 16.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.46 -41.87 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -67.81 -35.41 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.666 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.0 t60 -58.95 -52.43 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.632 HD13 HG12 ' A' ' 45' ' ' VAL . 3.2 mt -51.07 -18.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -66.19 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.4 m -72.13 -21.97 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.551 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -69.14 -11.25 60.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.715 HG21 ' SD ' ' A' ' 38' ' ' MET . 7.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.76 -168.75 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -91.62 135.88 27.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.476 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.1 t80 -94.1 133.51 27.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.78 -53.84 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.88 37.41 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.6 t -134.63 -66.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.89 70.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.584 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 8.5 tptm -89.77 148.53 23.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.687 HG23 ' HA ' ' A' ' 92' ' ' PRO . 2.1 mt -129.09 150.44 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.584 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 5.6 m-85 -134.15 139.22 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.66 -18.34 59.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -110.88 131.5 55.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -61.08 -46.22 91.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.13 -33.23 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.44 -32.04 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HG ' ' CD ' ' A' ' 112' ' ' LYS . 2.1 tp -73.05 -51.36 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -56.56 -48.3 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 96.9 mt -64.38 -35.39 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.554 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 4.4 t-80 -79.06 -21.66 46.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 13.8 mtpt -77.65 -29.36 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 12.2 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.5 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -116.13 133.84 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' LYS . 38.7 t -36.05 125.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.65 -5.81 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.611 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -72.68 122.56 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 6.0 tp10 -65.07 134.06 52.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 84.08 12.08 77.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 t -118.37 144.95 45.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.73 108.09 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -146.16 179.95 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -151.01 137.68 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 121' ' ' PHE . 14.2 m-85 -153.16 160.17 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.24 -7.54 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.424 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.2 OUTLIER -139.92 142.96 36.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 t -57.53 -35.86 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -55.9 -40.71 73.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.0 -47.58 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -60.24 -34.99 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -76.15 -24.79 54.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -74.83 -19.35 60.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -89.07 -1.1 57.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -87.93 -20.9 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -55.26 -21.07 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.39 -13.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.611 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -92.69 129.44 38.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 41' ' ' LEU . 11.5 mt -97.29 167.62 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -146.83 130.42 16.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 101.98 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -88.22 98.78 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.683 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.6 t-105 -107.08 117.15 33.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 63' ' ' GLU . 3.2 mt -119.65 100.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 21' ' ' GLU . 4.4 t0 -71.29 135.77 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 1.9 pt-20 -77.06 -41.31 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.33 18.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' CD ' ' HD3' ' A' ' 28' ' ' LYS . 6.9 pt20 -70.77 138.85 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.08 5.45 51.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.6 128.0 35.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -129.75 131.86 23.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.72 173.13 45.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HD3' ' CD ' ' A' ' 23' ' ' GLN . 33.9 mmtm -60.68 118.34 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -105.67 151.85 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -100.09 163.08 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -61.7 154.87 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t0 -121.81 112.43 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -169.39 161.21 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -147.35 158.14 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 56.4 m-85 -151.69 170.08 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -112.56 -22.87 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.498 ' C ' HD11 ' A' ' 14' ' ' LEU . 1.1 p -125.32 154.37 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.533 ' SD ' HG21 ' A' ' 86' ' ' THR . 17.6 tpp -57.62 -55.9 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -43.35 -43.19 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 39.7 mm-40 -59.26 -44.74 92.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 14' ' ' LEU . 17.4 tp -65.93 -53.24 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.3 -58.68 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -48.63 -30.81 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' GLU . 25.5 t60 -79.4 -62.7 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 41' ' ' LEU . 35.5 t -54.89 -21.07 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' GLY . 11.2 m -93.57 -54.22 3.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.46 -51.11 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.6 mt-10 -70.61 3.77 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 8.7 m-70 -141.65 -73.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.82 HG21 HD11 ' A' ' 82' ' ' ILE . 56.0 t -71.02 -3.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 74.86 -179.13 45.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.5 -161.79 36.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -104.93 45.02 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -137.94 137.9 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -89.04 -75.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.75 98.55 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.513 ' HB2' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -107.16 126.44 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.0 137.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -106.95 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m-85 -102.73 97.19 7.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.522 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.53 145.58 24.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 19' ' ' ILE . 42.9 tt0 -44.13 -21.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 62' ' ' TRP . 2.4 mt-10 -158.68 33.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -45.4 134.37 5.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -26.32 27.66 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -85.9 -22.99 27.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 70.01 28.35 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.64 62.65 3.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.82 103.4 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 p -39.2 147.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 78' ' ' LEU . 70.1 m-85 -103.65 -176.2 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -98.81 -11.51 21.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.901 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -158.51 172.28 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -58.17 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.484 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 31.8 p90 -54.94 -18.02 4.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.901 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 12.0 mmmm -74.53 -38.29 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 72' ' ' PHE . 13.3 tp -83.98 -42.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.447 HG22 HG23 ' A' ' 46' ' ' THR . 53.0 t -55.0 -46.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.9 OUTLIER -56.72 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.744 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.1 t60 -62.43 -47.43 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.82 HD11 HG21 ' A' ' 50' ' ' VAL . 3.4 mt -54.58 -17.12 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mmm-85 -69.94 -32.57 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.0 m -72.03 -20.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.522 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.1 m-70 -70.96 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.533 HG21 ' SD ' ' A' ' 38' ' ' MET . 19.9 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.897 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.73 -171.28 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.264 . . . . 0.0 112.365 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -89.92 136.08 29.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.4 t80 -94.76 133.93 25.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.07 46.81 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.4 t -136.79 -48.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.14 28.8 19.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 19.7 tptt -95.66 153.61 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.897 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -143.69 159.8 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -143.51 131.69 21.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.41 -10.39 58.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -110.28 132.56 54.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.7 p -67.96 -35.45 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.8 -20.97 55.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -81.57 -38.86 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 102' ' ' PHE . 10.7 tp -65.22 -52.66 53.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 5.0 ptpt -55.39 -49.22 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 88.8 mt -55.05 -33.92 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.42 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 6.3 t60 -77.07 -54.14 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.442 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.0 mtpt -46.05 -28.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 5.5 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.958 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.2 ttpp -116.73 127.89 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 122' ' ' LYS . 43.8 t -36.4 117.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -72.84 -5.33 37.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.527 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.0 t80 -72.5 121.95 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.1 153.55 29.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.85 16.84 53.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.63 143.18 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -124.96 105.94 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 3.8 mmm180 -142.61 179.79 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -151.63 125.41 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 9.3 m-85 -132.75 163.61 28.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.86 -15.03 10.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.504 ' ND2' ' OD2' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -138.4 141.54 39.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t -48.2 -53.94 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.1 m -41.24 -54.82 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.504 ' OD2' ' ND2' ' A' ' 134' ' ' ASN . 24.6 m-20 -54.32 -52.52 61.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.493 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 13.3 ttp180 -54.58 -42.82 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -68.94 -26.84 65.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.7 mtpp -75.14 -19.13 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 65.3 t60 -85.42 -1.67 57.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.85 -23.22 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.63 -20.81 8.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.51 -15.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.527 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.747 0.308 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.52 131.58 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 37' ' ' THR . 4.5 mt -104.15 163.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -127.76 140.82 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.19 92.83 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -86.23 98.97 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 20.1 t-105 -107.33 122.5 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 5.4 mt -122.66 99.21 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.2 t70 -74.5 104.04 5.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 4.8 pt-20 -35.71 -36.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -101.24 46.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.515 ' NE2' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.87 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 24' ' ' LEU . 1.9 tm? -123.91 1.71 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.29 174.03 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 8.1 mmt85 -149.94 132.92 8.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.75 -179.44 19.16 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.316 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HD2' ' NE2' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -56.93 131.87 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -114.31 144.15 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.51 162.46 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 128.11 34.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 92.73 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -131.88 163.43 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.6 p -149.29 158.69 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 70.1 m-85 -151.01 171.01 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.6 m -107.35 -12.64 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.472 ' O ' HD11 ' A' ' 14' ' ' LEU . 72.8 p -138.3 169.6 17.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 tpp -69.89 -55.91 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -48.66 -47.71 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.89 -32.95 22.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 45' ' ' VAL . 18.6 tp -77.93 -47.52 18.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.58 -56.68 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.1 m -47.55 -31.79 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.7 t60 -80.45 -62.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.453 HG23 HD12 ' A' ' 41' ' ' LEU . 42.9 t -53.86 -21.98 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.8 m -93.09 -56.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -87.55 -49.91 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 18.7 mm-40 -70.54 3.31 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.46 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 82' ' ' ILE . 54.5 t -69.96 -2.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 65.72 -157.77 47.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.29 -165.24 20.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -2.49 10.23 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.83 -23.67 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -69.62 109.41 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -50.5 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -83.22 112.51 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.544 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -100.47 109.71 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.91 138.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.03 113.13 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -98.65 97.16 8.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.57 145.37 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.97 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.3 mm-40 -158.82 33.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.0 t -47.02 134.36 8.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.24 11.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.518 HH21 ' CD2' ' A' ' 81' ' ' HIS . 5.5 mtm105 -101.26 -28.4 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 8.7 mt-10 79.13 26.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.43 56.23 5.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -108.38 104.42 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -43.97 159.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -105.67 -175.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -95.88 -1.5 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -169.28 -174.82 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -81.7 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 35.9 p90 -51.72 -27.89 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 13.9 mmmm -67.64 -31.85 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 60' ' ' CYS . 16.1 tp -86.02 -46.78 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.08 -42.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.677 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.3 t60 -62.78 -46.29 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 50' ' ' VAL . 2.9 mt -54.39 -19.5 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.31 -16.03 63.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.1 m -88.36 -23.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.682 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.42 -5.35 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 41' ' ' LEU . 41.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.657 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.2 Cg_endo -69.71 -169.12 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -90.38 136.13 28.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.464 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.72 3.75 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.454 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.7 t80 -107.76 126.46 29.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.71 -52.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.79 -2.74 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -99.26 -50.19 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.87 29.01 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 33.5 tptt -94.46 152.18 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' ' 92' ' ' PRO . 7.1 mt -135.12 137.95 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -121.84 160.06 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.69 -14.3 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -114.94 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.58 -47.52 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.33 -34.31 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -67.53 -45.44 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 102' ' ' PHE . 9.5 tp -65.7 -55.56 16.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -50.6 -43.55 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 95.1 mt -72.15 -31.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 5.7 t-80 -80.95 -20.96 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.3 mtpm? -78.82 -36.31 42.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 135' ' ' SER . 40.9 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -122.44 135.25 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.82 114.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.51 -4.59 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.502 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -73.25 125.92 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -68.74 134.55 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.54 11.05 82.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.56 143.85 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -122.36 106.07 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' HG2' ' A' ' 131' ' ' ARG . 18.4 mmt180 -146.61 165.17 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.407 ' HG2' ' C ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -137.13 127.71 26.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.42 152.09 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.34 -24.37 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -125.43 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.52 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 80.4 p -51.95 -48.77 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.4 t -40.88 -48.27 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.78 -49.13 78.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.55 -37.1 72.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.77 -22.25 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -80.76 -21.19 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.0 t60 -86.03 -1.22 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.6 mmt -87.86 -21.17 25.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -55.29 -20.78 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.29 -14.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.502 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -93.72 133.84 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -93.78 167.31 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -131.87 128.22 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' HG22 ' A' ' 45' ' ' VAL . 1.8 t -121.17 104.84 10.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -101.69 98.9 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.8 t-105 -107.09 111.34 23.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 28' ' ' LYS . 4.8 mt -114.57 102.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.916 ' OD2' ' HB3' ' A' ' 22' ' ' ALA . 28.5 t70 -78.12 114.85 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.31 -24.38 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.916 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . . . -72.53 -2.71 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ASP . 2.0 pt20 -60.53 160.28 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.22 16.94 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -112.33 150.15 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.4 tmm_? -143.43 133.72 12.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.77 167.25 71.74 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.339 0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 10.8 mmtp -43.85 168.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 141.84 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.1 p -103.42 137.48 41.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.78 -26.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 50.87 59.3 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 6.1 tpm_? -109.56 151.69 26.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 p -137.33 161.15 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -152.31 170.89 18.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -109.91 -9.31 14.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -144.02 153.97 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 tpp -55.58 -55.98 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -45.09 -46.13 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.18 -36.29 68.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.589 HD21 HG22 ' A' ' 86' ' ' THR . 15.5 tp -71.98 -57.54 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.09 -57.1 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.8 m -50.83 -28.05 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -83.0 -62.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.606 HG11 ' CG2' ' A' ' 82' ' ' ILE . 19.9 t -54.2 -21.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.4 m -93.1 -56.28 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.9 mtt -88.0 -49.76 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 58.2 mm-40 -70.77 3.54 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -142.73 -73.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.0 t -69.71 -2.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.37 -164.26 44.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.04 -163.48 31.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.55 4.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -86.05 -34.13 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -52.91 135.1 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.94 -71.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -86.14 129.09 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.808 ' HB3' HD23 ' A' ' 78' ' ' LEU . 6.8 m170 -105.25 106.31 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.38 134.51 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.462 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.33 114.02 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 1.6 m-85 -100.27 97.06 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.693 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.68 145.14 25.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -43.55 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 16.6 tt0 -157.86 33.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -45.06 134.01 5.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.687 0.756 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.51 36.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -94.22 -23.12 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 73.94 30.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.21 59.27 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -101.24 118.4 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 p -48.06 154.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 19.3 m-85 -110.68 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -96.08 -7.54 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -164.48 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.14 -51.71 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 2.4 p90 -58.45 -28.01 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.834 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 21.0 mmmt -62.69 -40.3 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 58' ' ' HIS . 8.2 tp -84.82 -49.35 8.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -49.6 -31.22 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.69 -35.96 60.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.861 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.8 t60 -64.38 -41.08 96.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.606 ' CG2' HG11 ' A' ' 45' ' ' VAL . 4.2 mt -51.46 -27.95 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -63.43 -29.24 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.5 m -69.16 -22.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.693 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 11.8 m-70 -74.72 -13.0 60.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.589 HG22 HD21 ' A' ' 41' ' ' LEU . 1.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.853 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -89.94 135.47 30.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.471 ' CD ' HD11 ' A' ' 108' ' ' LEU . 54.1 Cg_endo -69.78 -22.78 31.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.384 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.95 128.77 93.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.697 0.761 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 125.76 12.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.03 -6.89 83.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 100' ' ' LYS . 16.1 t -80.46 -32.15 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.3 24.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 17.5 tptt -88.87 147.45 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.853 HG23 ' HA ' ' A' ' 92' ' ' PRO . 2.4 mt -139.58 152.13 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.1 m-85 -134.04 135.02 43.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.13 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -128.9 131.13 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.1 p -57.75 -56.28 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.31 -42.52 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.44 -42.1 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.511 HD23 ' CD1' ' A' ' 91' ' ' PHE . 10.0 tp -67.64 -44.4 78.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.66 -38.92 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -77.53 -30.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 21.0 t-80 -77.98 -21.67 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.4 mtpm? -80.72 -37.85 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 113' ' ' ARG . 3.5 ptm85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.947 0.403 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -122.94 136.33 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 49.3 t -40.08 115.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -64.97 -11.5 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -71.02 123.22 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.6 151.32 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.91 11.73 58.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.4 t -113.68 149.29 34.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -124.91 109.21 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -149.02 179.73 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 128.56 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -139.18 154.5 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.8 -11.48 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -139.69 132.14 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -46.74 -39.79 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -51.56 -53.97 32.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.47 -37.98 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.66 -49.25 78.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 64.6 mttt -76.78 -20.44 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.1 t60 -84.86 -2.25 57.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.7 mmt -87.92 -21.18 25.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.98 -21.21 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.58 -16.35 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.6 m-70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 3.1 pt-20 -90.97 148.09 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -130.47 165.08 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m -132.14 164.86 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 100.29 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.16 98.93 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 13.7 t-105 -107.13 123.45 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.509 HG23 HE22 ' A' ' 23' ' ' GLN . 1.9 mt -122.44 100.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 9.0 t70 -77.77 130.7 37.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.7 -34.04 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.93 1.87 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.509 HE22 HG23 ' A' ' 19' ' ' ILE . 15.4 pt20 -67.66 126.12 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.2 16.06 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.6 t -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.2 tpt180 -153.05 140.25 13.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.8 Cg_endo -69.74 149.89 89.24 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.343 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HE2' ' NE2' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -44.85 124.2 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.97 149.54 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -101.23 151.42 21.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 140.03 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -116.67 121.37 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 18.7 ttt85 -174.24 168.08 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 p -145.06 168.03 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE1' HD13 ' A' ' 41' ' ' LEU . 2.4 m-85 -152.16 164.62 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -104.71 -27.68 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 p -123.7 169.45 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.58 -55.97 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -48.83 -34.72 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.21 -44.33 95.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.704 HD23 HG22 ' A' ' 86' ' ' THR . 22.0 tp -67.61 -57.88 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.769 HG11 ' NH1' ' A' ' 83' ' ' ARG . 57.2 t -49.87 -53.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.6 m -50.75 -30.24 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 33.8 t60 -80.97 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.564 HG12 HD13 ' A' ' 82' ' ' ILE . 14.0 t -54.04 -21.91 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.17 -56.44 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.0 mtt -87.35 -49.96 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 31.4 mm-40 -70.85 3.51 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.3 -73.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.9 t -69.78 -2.89 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.62 -170.17 46.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.21 -162.28 34.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.59 -44.25 7.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.466 ' NE2' ' HA3' ' A' ' 51' ' ' GLY . 4.1 tt0 -42.83 107.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -54.86 -76.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.01 98.45 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.785 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -98.7 109.72 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.51 134.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.573 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -102.33 113.73 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -99.21 96.88 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 85' ' ' HIS . 6.0 t-105 -90.93 145.12 25.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HA ' HD12 ' A' ' 19' ' ' ILE . 28.4 tt0 -45.02 -25.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -151.42 31.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -44.41 134.23 4.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -19.59 35.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -88.57 -1.19 57.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 49.44 31.36 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.97 63.21 3.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -112.99 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LYS . 3.5 t -36.82 154.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CE1' HD13 ' A' ' 78' ' ' LEU . 63.9 m-85 -102.91 -173.71 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 15.12 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.976 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -162.53 178.65 8.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -88.76 -47.9 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 24.6 p90 -65.95 -18.98 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.976 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 24.3 mmmt -70.48 -40.48 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.785 HD23 ' HB2' ' A' ' 58' ' ' HIS . 2.4 tp -80.15 -52.98 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -51.4 -30.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.4 -21.04 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.681 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.5 t60 -75.4 -44.08 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.608 HD11 HG21 ' A' ' 50' ' ' VAL . 2.0 mt -52.71 -24.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.769 ' NH1' HG11 ' A' ' 42' ' ' VAL . 15.1 mmt180 -59.25 -16.15 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.5 m -87.64 -10.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.566 ' HB3' ' CZ2' ' A' ' 62' ' ' TRP . 23.4 m-70 -98.11 -4.27 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.704 HG22 HD23 ' A' ' 41' ' ' LEU . 1.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.691 0.758 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.754 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.76 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.94 136.02 29.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.539 ' O ' ' HB1' ' A' ' 133' ' ' ALA . 54.6 Cg_endo -69.71 3.48 2.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.4 t80 -107.95 131.41 21.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.9 Cg_endo -69.77 -53.74 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.74 -2.86 13.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.3 t -100.48 -48.81 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.69 25.32 3.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.597 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 15.5 tptt -89.27 152.23 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 92' ' ' PRO . 6.9 mt -136.21 144.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.597 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -128.87 159.85 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.08 0.09 48.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -123.37 150.17 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.4 p -76.1 -46.84 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 107' ' ' ASN . 4.0 pt-20 -60.38 -34.71 74.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.408 ' N ' ' HG2' ' A' ' 106' ' ' GLU . 2.7 m120 -60.89 -49.0 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.411 HD21 ' O ' ' A' ' 92' ' ' PRO . 7.2 tp -63.78 -59.05 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -40.9 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 72.9 mt -75.59 -31.37 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 17.5 t60 -81.0 -20.04 42.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.478 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 7.3 mtpm? -76.75 -28.65 55.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 9.9 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.396 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' CYS . 14.1 ttpp -122.69 133.21 54.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.414 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 47.8 t -37.28 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.438 ' HG3' ' HE1' ' A' ' 142' ' ' MET . 4.3 pt-20 -63.89 -7.71 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.488 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.7 t80 -71.17 120.62 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 10.6 tp10 -62.05 145.13 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.463 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 70.76 18.16 75.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.47 144.57 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.92 105.97 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -151.02 177.39 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -147.23 128.24 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -127.34 158.93 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 94' ' ' PRO . . . -111.08 -19.21 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.42 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.7 OUTLIER -130.48 137.63 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -53.2 -36.08 60.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -55.63 -44.23 76.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 29.5 m-20 -63.75 -43.96 94.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -57.13 -45.0 83.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -72.52 -21.19 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.2 mtpp -84.89 -21.14 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 69.8 t60 -81.47 -3.39 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.438 ' HE1' ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -88.02 -18.69 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.2 OUTLIER -59.72 -20.26 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.519 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.2 -19.46 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.488 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 22.7 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -90.51 122.55 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 38' ' ' MET . 26.7 mt -102.3 167.9 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -140.5 131.56 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.74 87.98 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -81.3 98.89 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CD2' ' CD2' ' A' ' 49' ' ' HIS . 18.3 t-105 -107.05 122.91 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 63' ' ' GLU . 2.6 mt -122.73 99.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 2.5 t0 -74.6 103.27 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -37.07 -51.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.88 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.53 HE22 ' H ' ' A' ' 29' ' ' LYS . 17.3 pt20 -78.91 141.94 37.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.56 16.25 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 18.7 p -111.7 144.74 40.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.4 mmm180 -153.1 134.87 8.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.73 152.5 92.3 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.341 -0.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 18.4 mttm -45.8 125.75 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' H ' HE22 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -111.82 175.46 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 31' ' ' CYS . 3.1 p -117.92 125.07 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.0 t -35.01 99.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.28 111.95 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -175.11 168.96 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.638 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.7 t -156.5 174.01 16.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -152.1 167.22 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -88.5 -45.51 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.2 p -114.12 157.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.3 tpp -57.98 -54.82 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -42.02 -43.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.42 -44.55 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 86' ' ' THR . 12.8 tp -69.19 -48.75 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.663 HG22 HH22 ' A' ' 83' ' ' ARG . 13.6 t -51.38 -51.49 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.1 m -56.46 -25.82 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.8 t60 -83.03 -62.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 HD13 ' A' ' 82' ' ' ILE . 19.4 t -54.41 -21.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.1 m -93.18 -56.3 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.0 mtt -88.01 -50.01 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.531 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 30.8 mm-40 -70.63 3.41 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' CD2' ' A' ' 18' ' ' TRP . 2.4 m80 -142.33 -73.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 50' ' ' VAL . 55.7 t -70.0 -2.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 48.01 -174.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.64 -168.45 42.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.69 -23.14 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -59.02 126.77 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -46.18 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -112.54 130.73 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.58 ' HB3' HD23 ' A' ' 78' ' ' LEU . 7.7 m-70 -95.85 106.79 18.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 t -139.25 136.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.84 112.8 24.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 11.6 m-85 -99.32 97.36 8.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.6 t-105 -90.28 145.39 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.9 tt0 -42.39 -22.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' TRP . 32.6 mm-40 -159.55 33.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.492 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -43.8 134.52 3.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 54.1 Cg_endo -69.79 -26.17 27.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.18 -22.35 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 73.83 34.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.43 55.38 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 8.7 mmmt -87.79 89.59 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m -35.0 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 29.4 m-85 -123.24 160.71 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE2' ' CA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -99.2 40.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.791 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -173.84 136.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.807 ' O ' HG23 ' A' ' 79' ' ' VAL . 12.9 mmmt -61.32 -36.88 81.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -85.35 -6.74 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.791 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 15.8 mmtt -80.18 -41.13 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.685 ' O ' HD12 ' A' ' 78' ' ' LEU . 4.1 tp -78.83 -37.09 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 75' ' ' LYS . 44.0 t -60.16 -56.42 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.44 ' C ' ' HD2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -47.71 -28.29 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -72.12 -41.04 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.729 HD13 HG12 ' A' ' 45' ' ' VAL . 2.8 mt -58.27 -23.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.663 HH22 HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -47.72 -40.63 20.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 m -68.23 -24.27 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.17 -1.06 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 41' ' ' LEU . 46.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.608 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.898 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.78 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.9 135.86 24.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.473 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.4 Cg_endo -69.72 3.13 2.93 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -96.9 132.5 25.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.73 -53.92 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.35 42.27 3.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.2 t -134.14 -55.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.18 25.96 57.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 35.0 tptt -92.1 150.79 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.898 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.0 mt -139.68 140.97 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -125.82 134.35 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.64 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -110.1 131.12 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.3 p -57.94 -51.23 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 6.6 tt0 -54.54 -43.25 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -58.47 -38.56 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 102' ' ' PHE . 6.3 tp -72.04 -46.7 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -60.71 -48.12 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 64.5 mt -63.99 -33.04 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 27.4 t60 -80.3 -24.43 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 14.2 mtpt -78.56 -32.47 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -123.03 138.01 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 50.6 t -43.83 115.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.54 -7.37 37.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -71.48 141.05 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.98 152.88 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 53.78 26.9 34.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 5.9 t -121.81 139.71 53.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -120.0 106.74 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -148.01 -178.08 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -155.29 130.29 9.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.31 146.64 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.25 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.63 152.88 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 m -60.19 -49.04 79.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 p -45.59 -46.47 14.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.63 -35.12 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.22 -53.57 42.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -60.69 -20.69 61.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.8 mttp -76.95 -19.57 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 55.7 t60 -85.33 -2.28 57.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -87.86 -22.24 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -56.05 -20.65 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.11 -16.16 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.52 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 18.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.708 0.289 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -94.47 131.46 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.14 161.34 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -126.6 127.9 45.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 45' ' ' VAL . 8.6 t -111.42 93.73 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' ' HZ3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -94.33 98.91 11.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 9.7 t-105 -107.17 114.46 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -111.52 113.67 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.42 133.22 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.94 -40.18 54.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.87 28.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 7.9 pt20 -80.54 137.54 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.9 tt -92.79 0.4 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.46 127.88 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.555 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.6 tpt180 -128.78 140.01 37.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.81 165.56 76.45 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' CD ' ' A' ' 23' ' ' GLN . 32.9 mmtm -50.28 118.96 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -105.04 152.42 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 5.2 p -104.97 163.94 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.19 -56.61 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.06 57.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.597 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 19.2 tpt180 -115.92 152.24 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.509 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.4 p -130.27 164.0 25.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -153.04 166.77 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -97.49 -32.53 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -126.06 165.24 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.852 ' CE ' HD23 ' A' ' 41' ' ' LEU . 6.1 tpt -64.82 -55.62 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -44.39 -33.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.34 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.852 HD23 ' CE ' ' A' ' 38' ' ' MET . 62.2 tp -72.8 -38.84 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.44 -57.46 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.37 -28.03 27.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t60 -82.78 -62.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.633 ' CG1' HG21 ' A' ' 82' ' ' ILE . 75.6 t -53.72 -22.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 42.9 m -93.04 -56.4 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.0 mtt -87.26 -50.04 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.5 mm-40 -70.67 3.26 3.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.07 -74.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.925 HG21 HD11 ' A' ' 82' ' ' ILE . 55.2 t -69.42 -2.96 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 72.73 -173.76 46.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.78 -160.64 23.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.84 5.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -104.3 7.38 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 18.7 tp60 -86.58 146.31 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 57' ' ' ASN . 1.1 p-10 -90.02 -71.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 29.2 t30 -95.21 100.76 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -90.7 111.35 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.638 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 2.4 t -138.6 132.51 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.24 114.29 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.638 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.6 m-85 -111.77 97.38 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.7 t-105 -90.9 146.54 23.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -37.81 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 62' ' ' TRP . 3.3 mm-40 -148.6 49.63 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.566 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 41.9 t -86.57 135.24 36.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.76 37.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 1.6 mmp_? -67.38 -32.21 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 54.05 15.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.587 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 119.59 -24.69 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.55 105.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -177.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -113.69 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -100.69 -10.65 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . . . -148.59 153.48 38.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -63.46 -54.46 36.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 77' ' ' LYS . 6.2 p90 -55.91 -34.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -68.77 -33.61 74.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.99 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -77.01 -43.73 33.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.37 -51.56 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -51.48 -33.8 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.764 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 t60 -68.65 -39.5 80.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.925 HD11 HG21 ' A' ' 50' ' ' VAL . 10.9 mt -65.01 -16.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.5 -20.94 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.8 m -80.87 -21.66 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -77.87 -4.54 47.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.467 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 26.9 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.031 ' CE2' HD23 ' A' ' 108' ' ' LEU . 1.5 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.783 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.3 Cg_endo -69.71 -165.8 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 42.6 t -89.74 131.23 40.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -68.8 132.75 90.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.8 Cg_endo -69.73 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.23 40.8 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 8.2 t -135.71 -55.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.36 19.26 39.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 7.3 tptm -83.25 150.91 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.783 HG23 ' HA ' ' A' ' 92' ' ' PRO . 5.0 mt -129.51 147.43 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.617 ' CZ ' ' CG ' ' A' ' 111' ' ' HIS . 9.0 m-85 -131.92 135.17 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.47 -13.1 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.13 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -61.23 -48.48 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.75 -30.11 65.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -72.09 -53.28 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.031 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.2 tp -61.36 -53.4 57.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -52.83 -34.19 52.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 96.8 mt -84.33 -29.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.617 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 18.2 t-80 -79.41 -22.24 44.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -79.65 -28.52 40.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 1.4 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.9 ttpt -106.31 137.6 43.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' LYS . 25.8 t -37.57 134.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.1 -6.41 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -71.73 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.17 21.08 79.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 10.7 t -121.09 148.62 43.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.99 109.1 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -151.95 173.78 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -145.28 134.37 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 121' ' ' PHE . 38.8 m-85 -147.4 161.5 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.86 -11.23 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.71 136.46 35.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -49.0 -37.76 21.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.2 m -53.45 -52.19 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.75 -48.19 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -59.05 -36.99 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -73.64 -24.38 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -74.4 -21.11 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 39.4 t60 -86.27 0.29 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.67 -20.31 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -56.43 -20.09 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.38 -18.01 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 17.2 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.7 133.87 34.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.609 ' O ' HG22 ' A' ' 34' ' ' THR . 8.8 mt -92.54 167.89 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.1 m -148.61 134.89 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.33 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -83.59 98.85 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.725 ' CD2' ' CD2' ' A' ' 49' ' ' HIS . 15.4 t-105 -107.03 118.58 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.437 HD12 ' HG3' ' A' ' 63' ' ' GLU . 2.6 mt -118.36 99.11 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 18.5 m-20 -74.0 112.18 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.72 -32.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.35 39.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -42.35 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.2 tt -106.53 0.02 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -128.09 174.68 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 12.0 tpt180 -146.93 132.87 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -172.09 7.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.332 0.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 87.2 mttt -63.33 126.92 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 160.61 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.73 152.09 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.64 98.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.25 84.88 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -140.66 158.15 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 14' ' ' LEU . 4.3 p -148.78 168.19 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -152.44 170.11 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -96.85 -36.2 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -114.32 158.77 21.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.7 tpp -65.44 -44.0 88.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -53.06 -43.27 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.12 -39.23 74.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 tp -73.46 -51.57 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 HH12 ' A' ' 83' ' ' ARG . 10.6 t -50.76 -56.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -52.91 -26.31 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.3 t60 -82.89 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.628 ' CG1' HG21 ' A' ' 82' ' ' ILE . 37.6 t -54.1 -21.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 19.3 m -93.05 -56.33 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 mtt -87.96 -49.87 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 24.3 mm-40 -70.67 3.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.725 ' CD2' ' CD2' ' A' ' 18' ' ' TRP . 2.3 m80 -142.38 -73.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.772 HG21 HD11 ' A' ' 82' ' ' ILE . 54.9 t -69.7 -2.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.42 -169.69 43.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.67 -165.48 30.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.43 10.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.72 27.82 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.439 ' NE2' ' HA3' ' A' ' 51' ' ' GLY . 8.3 mp0 -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -85.74 -63.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -81.5 102.56 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.517 ' HB2' HD23 ' A' ' 78' ' ' LEU . 1.8 p-80 -109.27 111.27 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.2 t -140.14 138.34 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 116.86 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.8 96.78 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.574 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 3.9 t-105 -90.39 144.93 25.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 19' ' ' ILE . 46.6 tt0 -43.71 -26.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -151.56 30.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.0 t -42.53 134.24 2.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.66 26.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 16.4 mmm180 -85.25 -18.65 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 4.3 mt-10 69.47 34.93 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.43 61.5 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -109.52 113.67 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.9 p -43.27 161.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.79 -179.8 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -84.72 -22.12 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -147.84 170.59 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -52.65 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.401 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 13.7 p90 -58.38 -24.14 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.61 -37.43 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 58' ' ' HIS . 54.8 tp -80.11 -41.67 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.59 -34.13 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -74.64 -25.33 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.656 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.8 t60 -71.04 -49.51 44.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.772 HD11 HG21 ' A' ' 50' ' ' VAL . 3.7 mt -55.57 -17.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.529 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -61.51 -25.58 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 81' ' ' HIS . 5.9 m -83.66 -19.98 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.574 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -75.52 -25.28 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.913 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.82 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.83 135.4 30.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -22.06 32.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.753 2.302 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -71.64 133.03 84.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.82 -53.75 0.25 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.34 38.69 2.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.9 t -130.11 -62.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.38 21.96 68.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.584 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 27.3 tptt -87.41 150.46 23.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.708 0.29 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.9 mt -142.1 147.42 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.584 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -130.92 148.95 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.52 -13.52 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -114.34 149.64 35.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 t -73.66 -50.36 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 110' ' ' ILE . 14.4 tt0 -58.41 -35.62 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.28 -28.18 69.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.855 HD21 ' O ' ' A' ' 92' ' ' PRO . 4.5 tp -85.49 -56.2 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.38 -24.74 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 106' ' ' GLU . 86.8 mt -85.06 -32.49 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 8.2 t60 -80.24 -19.26 47.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -74.83 -26.96 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -120.08 136.56 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.8 t -42.55 118.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.21 -4.71 37.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.675 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.98 139.49 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -73.67 155.77 38.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.15 13.85 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.57 138.79 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.82 106.54 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 141' ' ' HIS . 56.0 mmm-85 -145.73 174.47 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 142.9 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -143.21 160.21 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -111.1 -20.19 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -129.17 150.94 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.4 p -52.01 -48.95 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 p -55.91 -55.55 31.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.423 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 7.2 m-20 -45.15 -28.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -83.07 -53.28 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -66.88 -15.01 63.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -78.96 -20.85 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.611 ' CE1' ' NH1' ' A' ' 130' ' ' ARG . 37.8 t60 -88.11 -0.12 56.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.71 -23.1 25.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -52.93 -20.45 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.24 -16.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.675 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.819 HE21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.71 145.17 26.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.907 ' O ' HG22 ' A' ' 34' ' ' THR . 9.6 mt -109.62 168.06 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 m -140.2 128.12 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.625 ' SG ' HG22 ' A' ' 45' ' ' VAL . 2.3 t -122.97 98.43 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -93.77 98.09 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.644 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 8.1 t-105 -107.97 122.65 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 4.1 mt -124.13 99.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLN . 42.5 t0 -83.28 114.92 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -39.28 -31.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.93 40.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -44.83 169.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -101.18 -14.21 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.418 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.4 175.21 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -150.62 134.94 9.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.1 Cg_endo -69.79 -166.55 3.32 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 22.6 mttp -70.38 132.98 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -133.58 162.76 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -88.88 142.45 27.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -41.72 -26.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 55.55 52.78 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 34' ' ' THR . 6.9 tpm_? -111.43 151.0 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.907 HG22 ' O ' ' A' ' 14' ' ' LEU . 7.0 p -149.03 161.8 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 62.9 m-85 -152.15 171.03 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.5 p -95.23 -39.43 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.484 ' O ' HD11 ' A' ' 14' ' ' LEU . 1.3 p -111.45 157.24 20.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.3 tpp -58.89 -55.77 30.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -42.74 -39.0 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 30.6 mt-10 -63.38 -42.85 98.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 86' ' ' THR . 13.2 tp -68.45 -49.04 62.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.52 -54.34 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.8 m -52.3 -29.31 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 45.5 t60 -81.5 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.625 HG22 ' SG ' ' A' ' 16' ' ' CYS . 22.0 t -54.58 -21.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.02 -56.73 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.5 mtt -87.84 -49.79 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 10.1 mm-40 -70.82 4.13 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.644 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.4 -74.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 82' ' ' ILE . 54.3 t -69.18 -3.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.34 -160.19 49.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.32 -164.93 22.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.461 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' GLN . 52.1 mt-10 -83.45 -54.01 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' GLU . 11.5 mm-40 -38.0 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -84.6 -68.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -91.18 121.27 32.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.698 ' HB3' HD23 ' A' ' 78' ' ' LEU . 22.9 m80 -108.4 106.25 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.7 t -141.58 118.09 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -88.59 118.25 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -97.4 97.03 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.35 145.77 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 3.9 tm-20 -48.53 -18.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -156.0 34.37 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 1.1 t -55.43 136.12 69.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.7 0.762 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 53.8 Cg_endo -69.75 -34.46 14.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.379 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.816 HH22 HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -67.4 -4.99 12.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 39.43 44.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.3 75.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.4 ttpt -85.99 80.54 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' LYS . 74.9 m -34.58 133.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.604 ' CE2' ' NH2' ' A' ' 67' ' ' ARG . 52.9 m-85 -98.08 149.53 22.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 38.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -170.15 113.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HE3' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -51.65 -30.49 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 3.6 p90 -73.96 -33.99 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.694 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 11.0 mmmm -64.02 -39.39 94.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -73.28 -40.36 64.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.4 t -61.18 -56.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.25 -35.8 67.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -57.0 -43.21 81.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 50' ' ' VAL . 2.8 mt -56.24 -18.04 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 4.8 mmt85 -69.69 -27.48 65.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.1 m -78.4 -22.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.793 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -69.17 -8.39 45.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.702 HG22 HD21 ' A' ' 41' ' ' LEU . 20.6 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.674 0.75 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.89 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 43.4 t -90.77 136.71 27.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.669 0.747 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.476 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.92 2.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.8 t80 -99.56 134.36 21.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.5 Cg_endo -69.71 -54.07 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.44 45.02 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 22.8 t -134.52 -48.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.96 22.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 tptm -95.81 153.62 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.89 HG23 ' HA ' ' A' ' 92' ' ' PRO . 6.1 mt -144.22 158.27 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -141.63 132.17 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.24 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -110.11 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -55.72 -60.15 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 107' ' ' ASN . 18.8 pt-20 -48.54 -41.07 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 2.5 m120 -55.44 -35.45 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -76.73 -42.25 41.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -64.02 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.49 -32.11 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 28.0 t60 -75.9 -46.65 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.2 mtpm? -55.21 -33.29 62.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.06 138.06 54.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.89 110.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.407 ' CG ' ' HD2' ' A' ' 138' ' ' ARG . 13.8 mt-10 -48.8 -19.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.79 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -73.95 112.65 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 154.94 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.2 3.22 23.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.4 t -102.18 152.92 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.466 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 12.0 t70 -123.76 106.01 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.466 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 17.8 mmt180 -154.19 -173.91 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -153.04 128.49 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 63.0 m-85 -130.0 146.43 51.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -101.16 -13.27 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -140.1 150.05 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 28.2 p -62.18 -33.79 75.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.6 t -60.54 -54.85 40.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.41 -46.27 83.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.438 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 6.6 ttp180 -54.75 -41.2 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -76.51 -14.96 59.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 17.9 mttm -81.67 -25.0 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 34.9 t60 -82.61 -0.33 46.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -87.75 -20.17 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER -57.6 -20.24 31.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.401 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.74 -19.22 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.79 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 p -167.37 146.48 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -151.46 158.03 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.24 58.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 m 41.95 44.18 2.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -60.12 128.47 36.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.02 -152.84 50.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.431 ' CD ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 tp-100 -111.69 140.33 23.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' CD ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.8 -163.66 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.64 135.03 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 105.13 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -113.5 144.32 43.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -99.11 140.38 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mt -117.98 167.83 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 t -156.51 130.17 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.38 96.67 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -76.96 98.55 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 12.8 t-105 -107.35 112.81 25.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.487 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 2.7 mt -109.98 99.0 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.84 124.08 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.07 -27.94 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.53 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' NE2' ' HD2' ' A' ' 28' ' ' LYS . 9.7 pt20 -63.05 130.97 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.09 7.1 46.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.434 ' C ' ' HD3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.03 126.54 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -122.52 157.22 59.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.77 150.65 90.51 Favored 'Cis proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.354 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HE2' ' CG2' ' A' ' 19' ' ' ILE . 4.3 mmmm -32.92 125.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.91 157.82 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.05 163.48 15.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -70.86 107.34 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -85.58 110.31 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -172.55 167.51 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.575 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 7.7 p -148.56 167.5 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -146.44 157.5 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -94.43 -21.32 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.4 p -133.77 163.81 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 tpp -69.09 -54.32 15.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -43.42 -49.72 7.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.23 -37.12 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 45' ' ' VAL . 8.6 tp -73.64 -25.47 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.46 -58.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.1 m -51.32 -30.48 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.9 t60 -81.9 -62.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.761 ' CG1' HG21 ' A' ' 82' ' ' ILE . 71.2 t -54.21 -21.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.9 m -93.09 -56.62 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.1 mmm -87.98 -49.98 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 6.3 mm-40 -70.26 2.93 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.41 -71.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 82' ' ' ILE . 2.3 t -70.48 -11.34 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 82.18 178.1 52.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.25 -170.95 41.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.24 3.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.59 -33.13 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -71.81 130.59 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -78.13 -74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -80.79 99.99 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' CD2' ' HD3' ' A' ' 75' ' ' LYS . 2.6 p80 -105.62 126.56 52.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.58 129.08 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -97.19 118.29 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -103.97 97.19 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.601 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.49 145.82 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -44.21 -21.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 62' ' ' TRP . 3.7 pt-20 -159.31 32.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.502 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.67 134.24 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.81 36.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -88.38 -23.68 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 74.95 24.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 60.94 2.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -109.45 150.36 28.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -90.19 156.1 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 77.5 m-85 -109.83 -177.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -108.73 18.86 20.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 76' ' ' TYR . . . -175.52 157.12 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 58' ' ' HIS . 16.8 mmmt -66.65 -51.59 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 34.8 p90 -55.04 -26.98 41.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 76' ' ' TYR . 14.8 mmtp -66.7 -40.94 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 9.8 tp -76.03 -50.81 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.35 -35.26 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 1.3 t30 -73.1 -29.7 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.7 t60 -65.08 -53.99 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.761 HG21 ' CG1' ' A' ' 45' ' ' VAL . 2.2 mt -49.38 -18.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 42.4 mmm-85 -55.7 -26.95 47.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 81' ' ' HIS . 6.6 m -82.63 -20.31 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.601 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.42 -11.89 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.3 p -83.24 -62.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.12 56.24 3.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.84 132.93 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -135.0 153.97 78.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -51.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.46 133.54 6.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.964 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.2 t -98.2 135.88 21.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' HB1' ' A' ' 133' ' ' ALA . 54.1 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -100.4 132.11 22.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.76 -53.81 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.48 38.6 2.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.2 t -132.73 -42.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.98 21.78 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 12.6 tptm -85.81 152.02 23.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.964 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.2 mt -140.09 144.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -128.32 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.26 1.74 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -123.84 145.93 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.9 t -74.87 -37.72 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.31 -31.83 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.27 -46.51 76.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 92' ' ' PRO . 11.6 tp -66.73 -49.95 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -58.97 -38.65 79.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 86.9 mt -78.11 -28.66 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.955 ' O ' HG22 ' A' ' 114' ' ' THR . 8.8 t60 -81.93 -22.23 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.7 mtpm? -73.01 -26.96 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.8 ptm180 -79.2 -20.92 47.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 111' ' ' HIS . 8.4 t -82.45 0.01 44.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -83.76 -67.36 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.2 m -175.73 158.5 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.526 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . -71.49 -46.04 42.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 116' ' ' THR . 63.1 tt0 -90.9 157.94 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 132' ' ' PHE . 51.3 mttt -89.03 153.93 49.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.61 5.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.36 103.75 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -106.6 132.19 52.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 47.9 t -38.41 126.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.63 -11.85 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.3 t80 -71.76 119.24 15.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.73 148.03 52.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.26 9.19 63.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 7.6 t -108.24 147.29 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -120.13 105.96 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -151.02 -177.79 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 119' ' ' LYS . 33.5 ptt-85 -157.21 136.42 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.477 ' N ' ' HD2' ' A' ' 119' ' ' LYS . 12.5 m-85 -147.44 160.59 42.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 94' ' ' PRO . . . -116.26 -16.42 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -128.09 128.99 45.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 t -48.2 -20.77 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 66.8 m -66.98 -53.76 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -54.05 -53.34 54.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -52.05 -57.14 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -56.09 -22.7 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 16.1 mtpp -84.18 -21.46 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.4 t60 -84.69 -1.57 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.69 -23.17 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER -54.92 -20.13 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.4 -12.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.638 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.8 m-70 -79.91 -31.9 40.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 145' ' ' HIS . 0.0 OUTLIER -34.7 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 145' ' ' HIS . 2.7 m -110.82 167.56 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -123.07 176.05 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -128.44 127.3 42.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.7 t -111.16 105.42 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.37 -89.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 107.43 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -60.93 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 m -79.94 94.69 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -137.98 117.46 12.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 p -160.64 114.54 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 -173.09 13.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -47.89 143.08 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -161.43 147.49 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.9 89.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -93.63 145.91 30.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -164.09 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -92.04 129.34 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -83.03 131.41 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.87 143.85 28.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -90.85 145.02 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 38' ' ' MET . 8.0 mt -120.21 166.58 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p -138.36 128.12 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 t -113.81 95.11 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -89.76 98.97 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.744 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 12.3 t-105 -107.25 116.31 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 63' ' ' GLU . 2.7 mt -112.87 105.37 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 123.08 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -25.66 67.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.11 33.73 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 16.9 pt20 -76.14 129.65 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.59 6.72 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 t -111.59 153.49 26.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 7.1 mmm-85 -150.9 148.44 23.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.8 169.7 62.24 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 0.1 OUTLIER -46.71 108.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 152.72 22.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -102.02 146.49 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.99 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -77.9 110.85 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -169.02 166.52 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.434 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 17.3 p -145.72 169.8 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' THR . 10.2 m-85 -149.84 167.93 25.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.401 ' OG ' HG23 ' A' ' 37' ' ' THR . 52.4 p -99.68 -41.16 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.401 HG23 ' OG ' ' A' ' 36' ' ' SER . 5.2 p -120.17 164.03 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.54 ' HA ' HD11 ' A' ' 14' ' ' LEU . 21.9 tpp -63.99 -48.55 76.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -51.9 -38.63 56.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -62.7 -35.91 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.21 -57.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.8 m -50.35 -27.62 6.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.1 t60 -83.03 -62.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG12 HD13 ' A' ' 82' ' ' ILE . 37.4 t -54.2 -21.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.5 m -93.08 -56.26 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.6 mtt -88.15 -49.85 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 43.8 mm-40 -70.65 3.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.47 -73.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.5 t -69.93 -2.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.11 -153.77 47.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.2 -161.07 13.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.53 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.01 -13.2 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -73.42 141.89 46.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -76.69 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -87.4 112.13 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.757 ' HB3' HD23 ' A' ' 78' ' ' LEU . 25.4 m80 -99.78 105.78 17.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 69' ' ' GLY . 37.0 t -136.46 138.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.73 114.88 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.21 97.14 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.74 145.55 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 19' ' ' ILE . 25.1 tt0 -45.39 -20.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 62' ' ' TRP . 18.4 pm0 -158.74 33.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.3 t -47.01 134.09 8.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.06 35.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.25 -24.73 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 70.49 28.45 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 59' ' ' VAL . . . 97.21 -27.6 17.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.28 104.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p -70.03 -176.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.481 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 4.4 m-85 -118.16 -177.49 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.03 20.15 18.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.741 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -167.16 163.95 15.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -70.96 -53.85 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.506 ' CE1' ' CB ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -55.07 -27.97 48.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.741 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -63.13 -40.51 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 58' ' ' HIS . 12.0 tp -80.28 -44.61 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.11 -39.4 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -73.47 -23.09 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.33 -51.72 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.72 HD13 HG12 ' A' ' 45' ' ' VAL . 2.9 mt -50.03 -19.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.502 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 1.1 mmp_? -57.19 -21.76 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.91 -12.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.573 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 7.2 m-70 -89.31 -15.66 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.438 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 54.7 p -85.59 -77.61 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.43 -29.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.82 153.88 42.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HE3' ' N ' ' A' ' 103' ' ' ALA . 6.8 mmmt -96.27 154.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -156.3 141.28 12.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.931 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.7 t -92.7 136.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.76 3.48 2.75 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.0 t80 -96.02 133.23 25.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.76 -53.83 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.608 2.206 . . . . 0.0 112.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.79 43.98 3.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.8 t -134.61 -58.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.42 27.65 68.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 20.5 tptt -95.04 152.32 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.931 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.1 mt -140.13 143.1 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -127.89 129.25 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.441 ' N ' ' HE3' ' A' ' 89' ' ' LYS . . . -67.59 -3.02 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -123.19 131.26 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -59.09 -47.91 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -55.21 -36.26 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.12 -37.5 85.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.49 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.4 tp -70.65 -51.56 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 41.9 pttt -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 53.6 mt -67.06 -28.81 44.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.907 ' O ' HG22 ' A' ' 114' ' ' THR . 40.5 t60 -81.49 -24.22 36.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 5.5 mtpm? -78.02 -35.97 49.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.5 ptp180 -62.88 -23.7 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.907 HG22 ' O ' ' A' ' 111' ' ' HIS . 7.5 t -82.38 -22.49 35.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -64.29 -6.95 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.626 HG22 ' N ' ' A' ' 117' ' ' GLY . 49.4 m -56.31 165.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.626 ' N ' HG22 ' A' ' 116' ' ' THR . . . 120.43 -85.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.59 143.7 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' CE ' ' HB2' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -99.94 143.88 27.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.837 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -42.09 3.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -117.47 128.94 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.438 ' HB2' ' CE ' ' A' ' 119' ' ' LYS . 41.5 tttp -122.63 138.0 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -47.67 127.16 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.84 -11.06 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.03 122.69 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 127' ' ' GLY . 37.4 tt0 -62.57 158.55 17.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 126' ' ' GLU . . . 57.33 15.36 15.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.04 141.57 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -123.02 107.33 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -145.31 175.0 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -149.68 118.85 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 68.5 m-85 -123.74 154.36 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.48 -16.47 16.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 0.7 OUTLIER -132.98 142.39 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -55.09 -36.19 65.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.3 m -55.83 -55.3 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.515 ' HB2' ' ND2' ' A' ' 134' ' ' ASN . 6.5 t0 -51.06 -52.68 40.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 9.5 ttp180 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -60.38 -38.17 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -62.9 -19.53 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.6 t60 -86.78 -0.64 56.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.89 -21.81 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -54.82 -20.87 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.597 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 -78.04 -39.06 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -67.77 -59.31 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.7 p -63.07 150.65 42.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -169.53 139.42 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.89 167.61 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.3 t -81.2 167.73 19.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 152' ' ' PRO . . . 88.81 51.62 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 151' ' ' GLY . 53.3 Cg_endo -69.8 155.98 64.4 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 155' ' ' GLY . 47.9 t -95.82 107.37 19.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 153' ' ' SER . 68.0 m -36.17 95.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 153' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -127.3 144.88 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -76.54 116.59 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.07 160.61 23.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -77.57 178.67 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -130.32 112.5 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.49 -176.23 19.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -93.43 148.61 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 141.52 45.45 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.76 2.307 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 mt -106.69 140.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -97.47 103.23 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -103.14 144.99 30.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.56 116.62 32.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.686 ' O ' HG22 ' A' ' 34' ' ' THR . 5.3 mt -106.32 167.94 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.9 m -143.6 144.33 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 102.06 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -92.63 99.0 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.55 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.01 108.54 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.43 HG22 ' NZ ' ' A' ' 28' ' ' LYS . 6.1 mt -110.96 103.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.45 -72.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 41.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 5.0 pt20 -59.87 156.61 13.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 24' ' ' LEU . 7.0 tp -83.76 -5.29 59.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -103.82 154.32 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.9 tpt180 -152.98 140.11 12.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.74 172.39 49.14 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.377 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' NZ ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -47.16 108.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 165.31 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.8 p -112.75 148.58 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 138.96 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -104.76 122.31 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.91 165.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -145.83 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 34' ' ' THR . 1.1 m-85 -152.81 164.2 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.0 p -96.82 -31.38 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 p -125.28 158.51 33.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.48 ' SD ' HG21 ' A' ' 86' ' ' THR . 22.9 tpp -58.49 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -47.61 -40.12 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.52 -39.6 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 11.8 tp -71.66 -47.93 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -56.66 -54.22 31.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.0 m -47.95 -28.3 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.4 t60 -82.89 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.595 HG12 HD13 ' A' ' 82' ' ' ILE . 20.7 t -54.19 -21.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.4 m -92.92 -56.46 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.7 mtt -87.9 -49.91 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 35.8 mm-40 -70.68 3.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.55 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.9 m-70 -142.88 -73.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.9 t -69.97 -2.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.36 -165.27 46.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.3 -166.63 27.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -3.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -80.4 -20.94 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -75.63 155.02 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -67.99 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -82.38 109.36 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.836 ' HB3' HD23 ' A' ' 78' ' ' LEU . 31.8 m80 -102.34 110.44 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.73 134.31 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.504 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 117.38 32.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -102.45 97.21 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 4.9 t-105 -90.73 145.22 24.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 19' ' ' ILE . 5.4 tm-20 -43.14 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -158.79 33.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.49 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.2 134.06 4.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -87.23 -18.02 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 69.64 31.81 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.13 58.27 9.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -103.86 115.03 29.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -47.05 170.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.26 179.59 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -82.89 -22.58 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.956 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -144.84 172.5 12.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.059 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 1.5 tmtm? -70.72 -48.88 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 48.3 p90 -62.52 -24.09 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.956 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 12.4 mmmm -60.34 -40.41 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.836 HD23 ' HB3' ' A' ' 58' ' ' HIS . 6.2 tp -78.14 -41.92 33.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.0 t -51.7 -37.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 95.0 m-20 -70.65 -36.63 73.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.8 t60 -58.93 -47.36 85.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.595 HD13 HG12 ' A' ' 45' ' ' VAL . 3.2 mt -55.06 -17.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 14.1 mmm180 -67.74 -23.04 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 81' ' ' HIS . 2.8 m -83.3 -20.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.49 -9.66 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.48 HG21 ' SD ' ' A' ' 38' ' ' MET . 2.3 p -98.0 -54.07 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.88 69.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -107.91 116.19 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.73 147.31 43.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.566 0.698 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -156.15 142.52 13.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.887 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.83 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.8 135.82 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -99.15 132.46 23.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.3 Cg_endo -69.79 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.36 39.91 2.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.2 t -133.76 -44.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.27 29.28 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -93.32 151.33 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.887 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.0 mt -141.15 142.28 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -127.64 136.36 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 -14.96 61.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -109.98 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -61.9 -48.98 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -57.19 -28.93 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -70.48 -55.3 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.581 HD23 ' CD1' ' A' ' 91' ' ' PHE . 15.6 tp -56.9 -56.08 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.541 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 7.9 ptmt -48.52 -50.27 32.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.541 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 82.0 mt -63.01 -31.85 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.902 ' O ' HG22 ' A' ' 114' ' ' THR . 9.6 t60 -81.96 -19.94 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.479 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 11.6 mtpt -75.6 -30.03 59.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 10.1 ptm180 -72.43 -32.32 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 111' ' ' HIS . 12.6 t -68.37 -12.86 61.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -77.35 52.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -120.36 143.82 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 144.7 -86.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -115.11 146.08 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' CE ' ' HB2' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -91.9 144.63 29.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.52 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 62.0 m-85 -78.96 104.22 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.9 136.5 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.77 114.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.26 -14.07 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.2 t80 -71.25 119.9 16.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.46 150.94 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.56 9.2 58.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.51 150.49 28.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.19 106.92 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.467 ' NE ' ' CE1' ' A' ' 141' ' ' HIS . 26.0 mmt180 -142.53 -178.69 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.479 ' HB2' ' CE ' ' A' ' 119' ' ' LYS . 2.0 ptm180 -164.3 118.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 130' ' ' ARG . 7.9 m-85 -138.06 155.52 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -104.91 -10.52 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 8.1 p-10 -134.94 138.62 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 1.3 t -54.59 -47.32 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.9 m -44.56 -39.44 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.509 ' HB2' ' ND2' ' A' ' 134' ' ' ASN . 5.7 t70 -71.49 -45.28 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -57.83 -48.78 78.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -65.41 -20.02 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.22 -20.54 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.0 t60 -86.74 -0.44 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 mmt -88.01 -22.35 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -54.82 -20.02 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.87 -15.29 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.1 m-70 -78.55 -18.73 54.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 162.59 13.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.8 t -91.5 84.59 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' SER . 28.6 m-20 -151.62 165.78 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -41.86 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 148' ' ' ASP . 16.6 m -41.34 -56.87 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 156.64 163.2 12.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -30.95 21.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.0 t -137.48 158.13 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 96.7 p -52.18 122.29 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.497 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -159.06 117.14 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -153.96 134.25 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 129.55 -135.78 8.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 m -36.21 -58.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 m -56.75 175.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.62 -172.7 12.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -88.75 146.21 36.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.75 24.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.33 107.57 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.3 142.72 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -102.42 115.1 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -84.59 127.85 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 37' ' ' THR . 56.2 mt -92.01 159.8 15.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.4 p -128.51 127.33 42.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 45' ' ' VAL . 7.4 t -123.97 103.32 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.34 98.74 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 6.8 t-105 -107.15 125.64 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 63' ' ' GLU . 3.6 mt -124.11 110.02 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.76 139.13 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 8.8 mt-10 -76.83 -30.03 56.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.55 27.02 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG2' ' HZ2' ' A' ' 28' ' ' LYS . 13.1 pt20 -79.88 135.66 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.9 2.98 40.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 124.65 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -134.48 148.08 66.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 141.66 66.65 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.329 -0.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' PRO . 27.8 mttm -33.36 114.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.9 -178.01 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -115.44 142.74 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.47 176.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.36 115.67 12.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' THR . 7.7 tpm_? -173.36 153.21 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t -155.99 161.02 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 40' ' ' GLU . 37.2 m-85 -153.01 170.83 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -85.87 -40.6 15.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' HD11 ' A' ' 14' ' ' LEU . 7.6 p -115.19 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.551 ' SD ' HD23 ' A' ' 41' ' ' LEU . 23.2 tpp -64.26 -55.28 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -42.08 -34.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 35.3 mm-40 -67.53 -42.53 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 ' SD ' ' A' ' 38' ' ' MET . 9.8 tp -67.54 -44.29 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -51.47 -50.93 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.6 m -51.42 -28.27 12.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.1 t60 -82.98 -62.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.704 HG11 ' CG2' ' A' ' 82' ' ' ILE . 19.3 t -54.06 -21.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -92.98 -56.5 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -88.03 -49.72 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 57.9 mm-40 -70.74 3.62 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.698 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.5 m-70 -142.99 -74.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 50' ' ' VAL . 53.2 t -69.07 -2.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.1 -152.86 48.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.34 -166.72 22.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -12.13 32.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.9 tp10 -90.86 -4.16 56.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' ASN . 9.0 tt0 -66.93 111.77 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 p-10 -35.65 -77.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -107.8 131.14 54.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.56 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -108.38 106.38 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -139.29 127.26 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -94.97 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 44.1 m-85 -101.58 96.99 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.771 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.95 145.02 25.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 19' ' ' ILE . 1.4 tm-20 -43.24 -25.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' OE1' ' CD ' ' A' ' 63' ' ' GLU . 13.9 pm0 -154.5 31.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.498 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -42.82 134.13 2.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -23.16 31.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.611 2.207 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.1 mtp85 -87.07 -18.96 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 71.16 32.49 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.1 53.41 33.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 107.42 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -50.43 148.65 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 8.1 m-85 -101.35 -179.63 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -98.16 20.23 12.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.775 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -174.01 178.14 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' CD ' ' ND1' ' A' ' 58' ' ' HIS . 2.2 mmmp? -86.75 -47.09 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 77' ' ' LYS . 23.4 p90 -64.32 -24.23 67.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.775 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 14.1 mmmm -67.73 -40.3 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 13.3 tp -82.9 -49.89 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' LYS . 73.1 t -48.76 -37.73 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -69.87 -36.55 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.8 t60 -59.29 -43.53 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.704 ' CG2' HG11 ' A' ' 45' ' ' VAL . 3.0 mt -54.03 -23.96 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -64.53 -25.01 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 81' ' ' HIS . 2.5 m -77.23 -21.98 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.771 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.74 -20.39 60.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.1 p -93.11 -55.68 3.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.42 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 121.38 -11.25 9.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -70.56 143.52 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.482 ' HE3' ' N ' ' A' ' 102' ' ' PHE . 8.9 mmmt -104.69 144.14 28.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -156.14 137.28 9.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.894 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.71 -165.7 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.5 t -92.95 136.01 25.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.49 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.27 2.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.1 t80 -103.25 127.0 30.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.75 -52.93 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.36 -3.16 11.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 14.7 t -99.48 -54.39 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.97 28.46 53.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -95.4 148.95 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.894 HG23 ' HA ' ' A' ' 92' ' ' PRO . 1.7 mt -131.94 139.41 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 2.8 m-85 -124.53 149.6 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.43 -14.09 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -110.01 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -62.87 -43.11 99.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HG2' HD12 ' A' ' 110' ' ' ILE . 28.7 tt0 -64.52 -25.0 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.68 -46.46 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.7 HD11 ' HD2' ' A' ' 112' ' ' LYS . 7.1 tp -60.0 -53.32 59.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 13.6 ptmt -53.84 -50.08 67.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 65.0 mt -64.65 -27.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.578 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 22.0 t60 -81.87 -22.37 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.7 ' HD2' HD11 ' A' ' 108' ' ' LEU . 16.9 mtpt -84.35 -32.35 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -75.02 -15.06 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 111' ' ' HIS . 11.9 t -94.15 -10.31 33.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.77 -49.58 76.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.3 m -174.66 144.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.85 -51.24 56.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.06 158.0 17.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.09 143.89 31.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.73 29.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.437 ' CB ' ' HB2' ' A' ' 132' ' ' PHE . 90.1 m-85 -130.08 108.55 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 137.04 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.3 t -51.27 114.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.29 -3.89 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.778 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -75.04 120.62 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -63.95 150.87 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.48 15.78 57.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.48 137.5 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 1.9 p30 -116.15 105.99 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 12.2 mmt180 -153.44 -175.17 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -156.89 151.73 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 28.2 m-85 -150.11 163.99 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' C ' ' CD2' ' A' ' 121' ' ' PHE . . . -117.13 -15.61 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.43 129.42 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -41.9 -35.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -55.73 -46.59 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.47 -46.05 77.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 10.9 ttp85 -60.1 -32.24 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.39 -22.19 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 37.7 mtpt -80.33 -20.99 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 52.4 t60 -85.02 -2.71 58.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.1 mmt -87.94 -21.32 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.94 -20.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.79 -16.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.778 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 21.6 m-70 -78.61 -33.76 47.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -50.82 -21.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 m -154.55 123.96 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.0 140.15 47.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -123.76 152.61 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.8 t -57.97 -26.99 63.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.45 166.09 33.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.86 22.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 21.4 p -99.92 108.87 21.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.4 t 56.59 39.98 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.521 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -170.92 -175.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -150.31 159.62 44.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.32 -155.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -154.85 168.45 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -104.54 84.16 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.11 -141.81 7.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.41 144.18 29.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mt -106.23 117.21 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -101.47 125.53 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -87.7 142.85 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -85.16 133.18 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 41' ' ' LEU . 13.3 mt -105.47 167.23 9.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -153.31 141.97 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -128.38 95.9 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 98.81 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 13.0 t-105 -107.17 123.53 48.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -123.86 101.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.69 136.38 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.38 -28.21 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.84 22.3 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.418 ' CD ' ' HD2' ' A' ' 28' ' ' LYS . 6.7 pt20 -81.6 136.03 35.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -89.98 -2.38 58.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 130.64 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 6.0 tpt180 -136.46 133.02 19.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.72 166.35 74.17 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.334 -0.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HD2' ' CD ' ' A' ' 23' ' ' GLN . 3.2 mmmm -50.88 134.58 25.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -112.43 163.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.46 147.24 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -53.06 111.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -90.4 97.29 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -149.92 162.86 39.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -146.75 151.0 36.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -145.78 167.7 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -111.0 -28.28 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -118.36 146.7 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.489 ' SD ' HD23 ' A' ' 41' ' ' LEU . 14.9 tpp -63.08 -40.34 97.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -48.32 -40.53 25.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 14' ' ' LEU . 24.8 tp -58.34 -25.65 62.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.09 -59.1 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.47 -28.94 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -82.44 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.772 ' CG1' HG21 ' A' ' 82' ' ' ILE . 85.3 t -54.1 -21.61 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.0 m -93.13 -56.38 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.4 mtt -88.2 -49.81 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.7 mm-40 -70.44 3.12 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.505 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.67 -71.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 82' ' ' ILE . 2.5 t -70.51 -11.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 59.04 158.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.57 -167.68 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.53 28.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.01 -26.68 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASN . 25.3 mt-30 -79.95 93.48 5.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLN . 20.4 m-80 -35.85 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -84.1 96.44 8.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.523 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -95.2 115.02 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 t -138.0 131.88 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -93.92 119.8 33.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -104.53 97.38 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.631 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.9 t-105 -90.84 145.87 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -47.34 -19.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -157.81 32.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.3 t -47.22 134.34 9.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.48 34.55 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 12.6 mmp_? -85.82 -18.17 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 5.8 mt-10 66.85 38.74 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.87 47.47 91.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -100.4 99.89 10.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -35.46 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 46.8 m-85 -95.67 170.42 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -26.51 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -142.13 172.71 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 3.8 tmtt? -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.478 ' CD1' ' HG2' ' A' ' 77' ' ' LYS . 5.6 p90 -60.39 -28.74 68.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.536 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 19.8 mmmt -66.42 -40.4 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 58' ' ' HIS . 11.0 tp -66.56 -37.98 86.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.64 -44.86 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -64.5 -24.33 67.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.581 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 t60 -68.83 -50.39 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.772 HG21 ' CG1' ' A' ' 45' ' ' VAL . 2.5 mt -52.37 -20.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -59.73 -22.76 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.6 m -86.11 -19.1 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.631 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.5 m-70 -74.86 -12.75 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.2 p -106.13 -55.3 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 89.73 1.84 76.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -85.03 121.45 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HZ1' ' HB2' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -121.16 144.03 38.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.472 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 53.7 Cg_endo -69.82 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.627 2.218 . . . . 0.0 112.309 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -156.25 139.84 11.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.908 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.6 Cg_endo -69.73 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.9 t -94.46 135.97 23.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.23 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -97.78 132.21 25.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 52.8 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.42 45.08 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 20.7 t -134.36 -46.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.38 28.4 20.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 24.3 tptt -96.44 151.54 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.908 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.4 mt -140.15 139.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -124.71 160.02 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.625 ' HB2' ' HZ1' ' A' ' 89' ' ' LYS . . . -101.22 -12.77 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -110.11 134.72 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.676 ' O ' HD12 ' A' ' 110' ' ' ILE . 61.3 mm-40 -62.96 -29.03 70.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.0 -54.35 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.2 tp -57.57 -47.84 80.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 1.7 ptmm? -62.27 -46.92 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 106' ' ' GLU . 47.9 mt -69.71 -27.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.947 ' O ' HG22 ' A' ' 114' ' ' THR . 19.2 t60 -82.04 -26.05 34.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -74.6 -28.02 60.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 7.7 ptp180 -73.71 -18.89 60.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.947 HG22 ' O ' ' A' ' 111' ' ' HIS . 7.1 t -87.27 -4.92 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.442 ' CG ' ' CD2' ' A' ' 95' ' ' PHE . 7.3 m-70 -80.89 46.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -124.24 -177.13 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.99 -95.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.22 130.53 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.31 160.41 26.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.714 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.29 20.81 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.493 ' CE1' ' OG ' ' A' ' 135' ' ' SER . 97.3 m-85 -117.2 125.54 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 123' ' ' CYS . 13.9 ttmm -122.94 128.79 50.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 122' ' ' LYS . 17.8 t -36.84 124.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.54 -4.93 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.416 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -74.39 122.74 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.93 137.26 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.1 79.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -120.93 142.16 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -122.48 109.16 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -145.39 -176.54 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -153.99 121.52 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -128.19 157.5 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.92 -21.29 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.79 130.31 37.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 121' ' ' PHE . 3.4 m -43.83 -41.85 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -47.98 -55.37 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.7 -52.16 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -45.16 -43.48 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -38.52 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 0.5 OUTLIER -65.35 -19.2 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 42.0 t60 -84.82 -2.26 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.93 -21.77 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.88 -20.4 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -12.29 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.8 m-70 -83.6 -7.65 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.75 -21.69 13.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 t -159.74 168.79 25.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.15 103.84 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.75 125.96 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.8 p -47.27 160.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 152' ' ' PRO . . . 170.91 -62.49 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 151' ' ' GLY . 54.1 Cg_endo -69.7 -37.6 9.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.7 p -51.78 127.01 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 m -82.27 166.46 19.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.471 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -157.42 129.86 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -122.36 174.72 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 -179.53 16.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -174.26 161.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -112.64 178.01 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.03 148.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -105.57 146.3 32.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -167.47 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.28 145.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -83.72 106.5 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -121.08 139.24 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.94 123.45 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mt -97.07 163.97 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 m -146.87 131.07 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' HB2' HD11 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -116.64 116.93 28.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -99.46 98.63 9.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.5 t-105 -107.32 125.9 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -124.02 102.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 51.0 t0 -85.73 114.85 23.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.25 -27.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -109.16 42.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -50.58 175.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -108.36 -17.65 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -130.71 156.78 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -132.64 156.59 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.356 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 27' ' ' PRO . 29.8 mtpt -33.96 107.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.86 157.73 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -84.2 150.74 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.0 137.24 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.06 102.56 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.5 ttt85 -170.46 161.82 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.533 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -149.48 166.77 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 34' ' ' THR . 44.5 m-85 -151.94 170.74 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 p -117.15 -26.34 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -112.21 161.17 16.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 6.8 tpt -65.29 -55.82 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -48.67 -36.75 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -58.32 -41.98 85.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' CD2' HG22 ' A' ' 86' ' ' THR . 57.5 tp -70.15 -57.15 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.74 -55.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.488 HG23 ' SD ' ' A' ' 47' ' ' MET . 1.2 m -54.39 -25.75 26.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.7 t60 -83.27 -62.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.725 HG11 ' CG2' ' A' ' 82' ' ' ILE . 31.3 t -54.48 -21.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLY . 21.6 m -93.4 -54.04 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 43' ' ' THR . 4.5 mtt -88.28 -51.28 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 mt-10 -70.81 4.29 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -142.31 -74.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 50' ' ' VAL . 63.3 t -69.05 -4.18 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 71.58 -163.87 54.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.38 -169.3 30.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -80.1 -28.63 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -64.69 150.57 46.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.3 t-20 -94.02 -74.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -80.48 119.55 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 1.7 m80 -109.44 112.62 24.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 t -136.9 128.31 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.581 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -103.86 116.12 31.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -101.33 97.36 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.7 t-105 -90.68 145.54 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 83.8 tt0 -46.73 -19.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' HG3' ' C ' ' A' ' 63' ' ' GLU . 55.4 mt-10 -158.07 33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.482 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 2.9 t -49.06 134.79 15.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -24.75 29.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' NE ' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 9.4 mt-10 76.42 32.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.82 38.53 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -99.55 98.75 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 p -48.69 157.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -102.49 -175.65 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -109.46 17.34 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -178.21 160.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.57 -52.03 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.6 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 54.3 p90 -54.84 -32.68 60.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.767 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.9 mmmm -62.28 -40.39 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' CD2' ' CB ' ' A' ' 58' ' ' HIS . 11.3 tp -77.43 -50.8 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.0 t -50.07 -38.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 53.6 m-20 -72.69 -33.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 t60 -59.49 -44.3 93.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.725 ' CG2' HG11 ' A' ' 45' ' ' VAL . 2.2 mt -55.13 -20.55 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 20.6 mmm180 -59.66 -35.0 73.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.4 m -71.75 -22.12 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -74.83 -22.41 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 41' ' ' LEU . 67.8 p -75.65 -68.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.75 53.0 14.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.3 127.84 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.607 ' CB ' HG21 ' A' ' 101' ' ' ILE . 1.8 mmmm -125.81 155.61 72.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.08 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.711 ' HD1' HD23 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -156.17 120.44 2.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 0.0 110.919 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.707 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.7 Cg_endo -69.72 -165.42 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -93.69 134.97 25.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HG3' ' NZ ' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 -16.5 37.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.05 125.89 91.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 128.06 15.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 84.87 -5.99 80.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 34.5 t -79.9 -32.44 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.4 29.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG3' ' CZ ' ' A' ' 102' ' ' PHE . 9.5 tptm -97.57 138.63 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' A' ' 92' ' ' PRO . 7.3 mt -133.37 156.6 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 100' ' ' LYS . 1.5 m-85 -140.5 131.63 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -15.72 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -110.05 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -56.41 -52.34 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.52 -44.95 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -56.17 -46.86 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.711 HD23 ' HD1' ' A' ' 91' ' ' PHE . 1.2 tp -66.34 -51.42 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -54.53 -50.15 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.54 -39.6 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.3 t60 -74.88 -20.52 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.4 mtpp -82.24 -31.81 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.817 ' O ' HG22 ' A' ' 116' ' ' THR . 3.5 ptm85 -82.36 -33.74 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 111' ' ' HIS . 5.5 t -65.06 -22.81 67.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.77 -43.73 77.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 113' ' ' ARG . 8.8 t -40.34 160.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.53 -103.61 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -83.01 139.1 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.515 ' NZ ' ' HB2' ' A' ' 133' ' ' ALA . 14.2 mmtp -105.88 152.33 40.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -42.18 3.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 84.9 m-85 -98.33 119.33 36.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -119.53 129.47 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.7 t -39.04 118.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.53 -7.28 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.706 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.5 t80 -72.26 122.3 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.62 151.07 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.11 9.08 39.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.62 144.96 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -122.5 106.36 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 30.1 mmt180 -150.15 -175.62 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.441 ' HB2' ' CG ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -158.2 139.92 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -146.12 148.78 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.515 ' HB2' ' NZ ' ' A' ' 119' ' ' LYS . . . -98.04 -14.54 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 1.6 p-10 -137.59 146.88 44.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.535 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 21.3 t -61.34 -26.11 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.2 t -66.0 -46.14 79.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.449 ' HB2' ' ND2' ' A' ' 134' ' ' ASN . 5.8 t0 -62.36 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -58.59 -53.27 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -57.4 -22.57 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -79.03 -21.24 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 46.0 t60 -86.76 -1.02 57.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.9 -20.51 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -56.09 -20.11 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.41 -15.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.706 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.4 m-70 -80.32 -24.11 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.47 164.69 25.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.4 m -84.66 -38.65 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -162.03 175.34 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 150' ' ' SER . 9.7 tptm -154.52 147.42 24.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 149' ' ' LYS . 17.9 m -122.91 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.76 150.47 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.53 6.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.3 m -52.06 112.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.1 p -91.5 -16.73 26.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -149.87 131.43 14.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -106.62 54.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.37 113.68 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.3 m -96.59 175.91 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 80.41 113.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 123.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -103.08 144.06 27.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.697 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.33 34.99 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.1 mt -118.46 143.63 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -89.41 106.23 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -99.68 145.03 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.33 134.83 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 37' ' ' THR . 7.1 mt -106.72 167.9 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -135.6 152.25 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 t -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -97.62 98.96 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.673 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 17.6 t-105 -107.26 124.92 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mt -124.0 101.04 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -78.28 135.47 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -72.91 -36.79 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.45 35.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -78.87 136.56 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.8 tt -81.57 0.12 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -98.9 132.47 44.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.556 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.4 tpp85 -139.84 140.43 24.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 164.02 80.31 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.325 -0.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -46.43 133.57 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.07 168.88 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 p -112.91 134.07 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -44.82 137.71 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -107.95 105.12 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -161.27 156.22 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 p -146.68 159.69 43.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -149.37 169.78 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -92.23 -47.15 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' HD11 ' A' ' 14' ' ' LEU . 1.3 p -113.26 163.06 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.6 ' SD ' HG21 ' A' ' 86' ' ' THR . 16.4 tpp -59.76 -53.86 53.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.98 -41.5 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.43 -46.61 89.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.02 -49.75 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.55 -53.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.1 m -50.84 -29.6 12.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.5 t60 -82.31 -62.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.509 HG11 ' CG2' ' A' ' 82' ' ' ILE . 17.7 t -53.8 -21.98 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.7 m -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.8 mm-40 -70.64 3.02 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -141.82 -73.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.766 HG21 HD11 ' A' ' 82' ' ' ILE . 54.4 t -69.69 -2.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.44 175.22 17.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.44 31.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.533 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.32 6.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -115.66 56.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -123.98 131.1 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -51.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -113.32 131.44 55.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.683 ' HB3' HD23 ' A' ' 78' ' ' LEU . 9.7 m80 -103.67 107.1 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.3 127.16 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -101.71 118.0 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -102.61 97.2 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.594 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.57 145.55 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -44.08 -21.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 62' ' ' TRP . 43.5 mt-10 -158.66 33.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.9 t -45.33 134.03 5.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.31 36.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -89.95 -11.88 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 65.0 40.67 5.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.91 60.4 9.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 128.82 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.7 p -58.01 177.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -126.39 179.27 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -77.67 -23.36 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.772 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -148.92 173.88 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HD3' ' CD2' ' A' ' 58' ' ' HIS . 9.9 tptp -69.55 -57.19 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' A' ' 77' ' ' LYS . 20.4 p90 -55.32 -17.41 4.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.772 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 1.1 mmmp? -72.15 -39.28 68.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.683 HD23 ' HB3' ' A' ' 58' ' ' HIS . 5.0 tp -78.52 -40.9 33.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.53 -46.53 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -60.9 -37.98 84.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.521 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.6 t60 -58.14 -48.89 78.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.766 HD11 HG21 ' A' ' 50' ' ' VAL . 3.9 mt -52.64 -25.55 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -63.25 -28.08 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 81' ' ' HIS . 1.4 m -76.22 -20.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.594 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.35 -9.29 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.6 HG21 ' SD ' ' A' ' 38' ' ' MET . 2.5 p -92.79 -55.86 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 94.93 15.86 43.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.481 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -107.56 114.06 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.602 ' HD2' ' HB2' ' A' ' 103' ' ' ALA . 8.5 mmmt -133.82 147.74 65.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 53.5 Cg_endo -69.83 -51.73 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.274 . . . . 0.0 112.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.27 143.29 13.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.973 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.82 135.91 22.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.403 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.3 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -95.43 132.92 26.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.78 -53.91 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 41.97 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 17.4 t -134.66 -55.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 28.07 56.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.596 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 31.4 tptt -94.35 148.96 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.973 HG23 ' HA ' ' A' ' 92' ' ' PRO . 1.9 mt -134.54 146.29 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.596 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -130.52 125.77 35.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.602 ' HB2' ' HD2' ' A' ' 89' ' ' LYS . . . -67.82 -15.38 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 106' ' ' GLU . 5.0 ttt180 -109.93 131.07 55.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.0 p -55.05 -60.59 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 104' ' ' ARG . 10.2 mm-40 -47.87 -39.82 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 104' ' ' ARG . 76.6 m-20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.7 tp -75.1 -49.17 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -64.01 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.4 mt -76.5 -30.64 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.751 ' HA ' HG22 ' A' ' 114' ' ' THR . 12.0 t60 -79.02 -54.79 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.731 ' O ' HG23 ' A' ' 116' ' ' THR . 16.8 mtpt -47.35 -30.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -83.16 -29.07 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 111' ' ' HIS . 2.5 t -101.08 1.08 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -124.26 -2.37 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -70.69 -53.75 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' THR . . . 37.67 -130.94 1.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -81.04 158.1 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -89.08 156.08 49.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 86.9 m-85 -87.59 95.72 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -109.45 137.85 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 51.7 t -40.63 118.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.33 -9.27 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.16 126.83 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -66.2 156.06 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.15 6.45 13.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.31 143.03 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.59 107.06 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -146.85 170.21 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 137.42 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' PHE . 20.4 m-85 -147.83 159.75 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -112.16 -21.27 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -129.47 134.12 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.7 t -48.98 -31.97 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.6 m -58.97 -40.5 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -72.95 -40.56 65.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -64.06 -45.16 89.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -22.0 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -77.78 -18.94 55.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -86.42 0.04 54.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.95 -20.53 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -56.23 -20.16 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.95 -12.47 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.665 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.9 m-70 -81.59 -39.15 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 p -123.1 112.86 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.7 p -108.06 87.13 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.44 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -116.84 151.4 36.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -57.54 155.57 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.72 153.63 30.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.7 m -165.25 136.01 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 t -48.41 -62.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -142.59 163.44 32.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -161.25 158.67 27.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.28 164.8 14.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -143.16 157.63 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -133.31 -178.09 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.99 111.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -103.37 145.16 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -165.96 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -93.17 140.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.79 103.58 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -116.99 138.48 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.52 127.81 34.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 11.3 mt -95.97 163.41 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -144.67 140.62 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 101.86 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 98.99 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 17.2 t-105 -107.16 123.96 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -123.91 100.28 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 23' ' ' GLN . 4.0 t0 -71.94 136.88 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 2.5 mt-10 -74.97 -33.38 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.25 39.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.473 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 10.6 pt20 -76.77 147.15 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -91.8 4.74 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.49 132.79 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.539 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 1.2 tmm_? -134.95 137.35 27.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 173.64 43.65 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 36.9 mmtt -54.9 118.36 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -105.56 161.01 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -109.06 145.73 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.55 120.9 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -92.03 100.45 13.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' A' ' 44' ' ' HIS . 11.0 mmp_? -143.14 164.25 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -153.54 148.26 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 68.0 m-85 -144.76 156.53 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -96.95 -24.12 15.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.3 p -123.23 156.24 35.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 22.7 tpp -61.37 -55.97 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -44.81 -44.0 9.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 8.0 mm-40 -54.92 -48.23 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 25.4 tp -61.81 -52.09 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -54.04 -52.89 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -27.75 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.4 t60 -83.07 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 82' ' ' ILE . 15.6 t -54.16 -21.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.6 m -92.98 -56.61 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -87.77 -49.84 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.535 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.9 mm-40 -70.76 3.88 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.748 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.3 m-70 -143.06 -73.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 50' ' ' VAL . 55.6 t -69.65 -2.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 63.92 -159.83 39.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.99 -162.47 24.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.21 34.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.61 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.89 149.51 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -94.66 -70.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -83.7 114.83 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.796 ' HB3' HD23 ' A' ' 78' ' ' LEU . 26.2 m80 -107.3 106.42 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.14 133.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.576 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.94 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.548 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 37.4 m-85 -100.9 97.34 7.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.709 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.48 145.46 24.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.32 -22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' TRP . 21.2 pt-20 -159.63 32.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.8 t -42.81 134.03 2.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -14.95 36.66 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 5.7 mmp_? -90.31 -33.85 15.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 74.02 40.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' SER . . . 87.14 -23.21 11.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLY . 4.8 tmtm? -38.05 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLY . 37.2 t -59.59 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.7 m-85 -136.04 13.87 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm 44.69 24.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.589 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -152.29 168.03 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -92.71 -58.69 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.646 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 39.5 p90 -59.95 -12.33 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.646 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.9 mmmt -83.87 -40.98 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 58' ' ' HIS . 10.0 tp -82.16 -39.98 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.07 -45.61 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -27.44 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.8 t60 -66.67 -48.07 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.678 HD13 HG12 ' A' ' 45' ' ' VAL . 2.5 mt -51.93 -23.08 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -57.07 -32.02 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.4 m -74.56 -23.75 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.709 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -70.86 -13.46 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 11.9 p -86.89 -62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 47.62 55.38 9.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -72.4 116.34 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.599 ' CB ' HG21 ' A' ' 101' ' ' ILE . 21.2 mmmt -136.03 152.62 75.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.435 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 53.5 Cg_endo -69.76 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -156.15 120.41 2.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.763 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.83 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.356 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.08 135.23 30.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -21.17 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CB ' ' NE2' ' A' ' 115' ' ' HIS . 2.1 t80 -67.96 127.79 93.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.42 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.62 -5.16 85.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 37.3 t -80.06 -32.24 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 37.67 27.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 20.1 tptt -94.67 141.27 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.763 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.5 mt -134.94 152.56 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.2 m-85 -138.06 121.71 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.56 -11.59 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -110.09 131.09 55.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -63.29 -36.84 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.598 ' HG2' HD12 ' A' ' 110' ' ' ILE . 23.5 tt0 -71.3 -28.05 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.48 -39.96 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.99 -52.77 54.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 10.8 ptmt -59.33 -45.29 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.598 HD12 ' HG2' ' A' ' 106' ' ' GLU . 69.8 mt -66.98 -25.62 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.776 ' HA ' HG22 ' A' ' 114' ' ' THR . 4.5 t60 -79.91 -55.84 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 116' ' ' THR . 5.6 mtpm? -44.95 -36.9 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -77.15 -27.77 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.776 HG22 ' HA ' ' A' ' 111' ' ' HIS . 1.6 t -101.51 1.32 37.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.599 ' CG ' ' CE1' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -125.11 -53.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -61.17 -19.83 62.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.1 -25.75 72.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -107.18 158.35 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -91.04 155.23 45.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.33 37.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.226 . . . . 0.0 112.327 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -130.55 99.27 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 123' ' ' CYS . 24.2 ttpt -112.99 136.01 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' LYS . 41.3 t -35.36 111.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.29 -8.62 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.485 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -72.17 130.57 41.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.59 4.78 81.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.0 t -109.33 144.09 37.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -123.32 108.02 12.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -147.66 -179.39 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -147.43 133.9 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.03 160.26 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.36 -9.24 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.02 132.59 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 t -49.01 -32.04 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -60.47 -54.6 43.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.8 -42.39 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -62.29 -49.79 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.45 -23.04 66.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 5.8 mtpm? -78.58 -18.68 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.6 t60 -85.53 -2.28 57.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.75 -22.0 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.88 -20.92 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.6 -14.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.485 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.2 m-70 -79.55 -0.48 33.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -53.57 -52.27 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.2 t -129.57 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.45 132.09 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -65.1 -9.79 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 p -89.75 172.23 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.81 75.68 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.63 65.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 t -146.96 152.31 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 t -75.08 133.73 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.487 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -170.93 140.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -107.62 159.96 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.07 156.58 22.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -119.37 115.99 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -55.52 173.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 154.16 24.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.26 142.68 26.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -98.8 134.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -87.88 116.2 25.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -100.12 140.1 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -90.61 127.38 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -101.97 166.41 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -134.16 138.38 45.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.91 97.51 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -89.17 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.17 126.3 52.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.575 HD12 ' CD ' ' A' ' 63' ' ' GLU . 1.8 mt -123.57 103.79 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.85 128.82 34.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 5.4 mt-10 -65.69 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.46 26.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.59 129.56 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.01 -6.13 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -80.49 132.22 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 10.8 tpt85 -138.08 132.63 17.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 176.52 32.27 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.352 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.5 118.3 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -109.83 146.37 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 p -90.26 144.7 25.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 150.44 22.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.55 135.64 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -172.83 161.18 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.5 p -137.32 151.0 48.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -148.59 158.71 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -87.55 -38.47 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -124.76 164.35 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.561 ' SD ' HG21 ' A' ' 86' ' ' THR . 20.9 tpp -59.51 -54.43 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -55.63 -43.37 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 45' ' ' VAL . 10.8 tp -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.79 -51.81 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.4 m -50.04 -29.08 8.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.8 t60 -82.77 -62.79 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.632 ' CG1' HG21 ' A' ' 82' ' ' ILE . 17.0 t -53.9 -21.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 10.2 m -93.11 -56.87 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.6 mtt -86.94 -50.07 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 51.3 mm-40 -70.87 3.4 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.596 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.1 m-70 -142.03 -73.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.797 HG21 HD11 ' A' ' 82' ' ' ILE . 55.3 t -70.09 -2.7 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.63 -169.12 45.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.25 -162.27 34.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.46 30.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.01 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -41.66 121.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.57 -75.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.09 106.32 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.663 ' HB2' HD23 ' A' ' 78' ' ' LEU . 2.2 p80 -105.79 123.08 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.03 138.23 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.85 116.02 29.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 36.8 m-85 -102.08 97.09 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.748 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.45 145.46 24.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' CD ' HD12 ' A' ' 19' ' ' ILE . 6.1 tp10 -43.62 -21.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.6 mm-40 -159.55 34.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -45.65 133.87 6.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -20.02 35.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -89.8 -14.2 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 69.58 33.91 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.32 18.53 73.42 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -69.77 123.85 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.925 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -62.17 173.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.89 -175.62 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.81 -6.69 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -153.49 167.82 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -70.32 -58.36 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -54.61 -22.68 14.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 mmpt? -66.61 -40.06 88.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 58' ' ' HIS . 8.3 tp -78.13 -46.37 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.88 -40.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.07 -31.34 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.465 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.9 t60 -64.34 -48.71 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.797 HD11 HG21 ' A' ' 50' ' ' VAL . 2.1 mt -55.56 -21.87 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 15.1 mmt85 -63.32 -22.1 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 81' ' ' HIS . 1.5 m -85.33 -20.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.748 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 3.3 m-70 -69.95 -12.31 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.561 HG21 ' SD ' ' A' ' 38' ' ' MET . 16.8 p -76.45 -55.76 5.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.25 -21.96 18.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.63 124.47 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.578 ' HE2' HG21 ' A' ' 101' ' ' ILE . 2.5 mppt? -130.35 152.81 80.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 54.5 Cg_endo -69.72 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.25 . . . . 0.0 112.4 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.79 ' HD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -156.46 137.07 9.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.913 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.7 Cg_endo -69.75 -168.64 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.98 135.35 30.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.15 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.2 t80 -69.16 133.6 89.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.64 40.97 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -136.01 -52.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 50.15 28.47 13.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 7.5 tptm -91.78 151.28 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.0 mt -139.82 156.15 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -138.88 153.37 48.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 83' ' ' ARG . . . -83.81 -11.96 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -111.06 138.05 47.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -70.18 -36.33 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 3.7 tt0 -71.2 -24.16 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.61 -40.78 66.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.893 HD21 ' O ' ' A' ' 92' ' ' PRO . 3.4 tp -70.13 -52.18 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -54.5 -35.67 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 106' ' ' GLU . 96.7 mt -81.48 -28.81 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.948 ' O ' HG22 ' A' ' 114' ' ' THR . 7.4 t60 -81.86 -23.08 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.95 -29.02 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.07 -24.62 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.948 HG22 ' O ' ' A' ' 111' ' ' HIS . 7.6 t -75.84 1.42 15.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' THR . 30.9 m-70 -92.25 36.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.8 m 85.65 113.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.03 -27.24 2.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -95.55 158.22 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -88.75 144.57 33.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.76 29.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.28 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 94.3 m-85 -134.39 95.13 3.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -113.05 137.67 51.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.97 118.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.47 -2.64 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.406 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.14 130.7 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.8 139.11 48.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 75.04 17.75 80.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.86 144.74 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.81 106.03 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -151.23 174.0 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 142.77 22.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -148.41 163.62 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -111.7 -21.92 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.476 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 4.0 p-10 -126.67 132.56 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' A' ' 121' ' ' PHE . 1.1 t -43.98 -52.62 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -40.13 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.476 ' HB2' ' ND2' ' A' ' 134' ' ' ASN . 7.5 t0 -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -54.69 -47.25 73.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -67.41 -18.88 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -83.86 -18.46 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.7 t60 -86.69 0.28 54.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -88.03 -21.19 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -55.17 -21.16 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.28 -12.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.406 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 -84.25 -15.22 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.8 m -80.23 -37.15 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 149' ' ' LYS . 16.9 t -146.12 113.22 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.54 79.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 147' ' ' SER . 14.1 tptm -151.6 121.27 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.7 t -42.08 108.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.08 153.44 17.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.45 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.5 m -120.66 134.25 55.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.2 t -102.58 142.31 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -111.01 128.2 55.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -170.32 166.59 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.4 66.24 0.52 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -139.15 149.06 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -56.06 -176.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.28 106.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -104.68 152.9 39.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -167.29 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.7 mt -95.24 140.24 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -86.07 113.81 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -110.45 136.57 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.57 129.37 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.44 157.01 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -125.02 142.77 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 45' ' ' VAL . 1.3 t -129.24 100.24 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 2.8 mmmm -93.86 98.69 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.733 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.2 t-105 -107.04 123.2 47.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.842 HG23 HE22 ' A' ' 23' ' ' GLN . 3.8 mt -119.24 112.68 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 17.4 t70 -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.92 -28.63 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.39 24.44 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.842 HE22 HG23 ' A' ' 19' ' ' ILE . 1.9 pt20 -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.59 12.47 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.98 121.05 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.55 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.3 mmt-85 -123.95 148.33 56.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.84 147.37 84.67 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.337 0.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 23' ' ' GLN . 32.8 mttp -33.26 107.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.03 -177.97 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -113.55 148.92 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.32 160.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -118.1 117.88 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 20.5 tpt85 -173.84 154.56 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -140.76 156.44 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.45 154.41 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -96.71 -31.24 12.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -117.26 163.13 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.417 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 9.2 tpp -63.95 -56.05 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -43.98 -46.86 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.09 -44.16 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.674 ' CD2' HG22 ' A' ' 86' ' ' THR . 11.3 tp -62.57 -49.06 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.33 -52.71 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 m -50.11 -25.72 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.3 t60 -83.21 -62.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.649 HG11 ' CG2' ' A' ' 82' ' ' ILE . 20.9 t -54.27 -21.85 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.7 m -93.02 -56.18 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -88.18 -49.81 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 41.4 mm-40 -70.74 3.92 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.733 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.16 -74.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.637 HG21 HD11 ' A' ' 82' ' ' ILE . 54.2 t -69.24 -3.1 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.29 -161.78 50.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.491 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.21 -158.28 34.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -51.09 -24.34 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -48.97 103.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.43 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.57 98.77 8.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 108.66 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.625 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 14.0 t -135.83 141.27 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.53 113.73 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.625 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 5.0 m-85 -112.31 97.53 6.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.8 t-105 -91.0 146.47 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HG3' HD12 ' A' ' 19' ' ' ILE . 82.8 tt0 -37.7 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.6 pp20? -148.32 48.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.565 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 53.0 t -84.11 136.02 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -24.67 29.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.582 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 19.9 mmm180 -67.09 -34.15 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 53.38 21.95 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.589 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 114.48 -23.58 12.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -49.1 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -59.19 -175.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 55.4 m-85 -119.06 164.09 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.59 -11.06 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -150.16 171.89 16.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -53.72 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.558 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 30.8 p90 -54.5 -30.67 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.9 mmmm -64.6 -40.96 96.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.529 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 8.3 tp -77.71 -54.97 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.0 t -44.2 -47.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.49 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.933 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.9 t60 -61.75 -33.6 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.649 ' CG2' HG11 ' A' ' 45' ' ' VAL . 4.5 mt -63.42 -31.21 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -60.35 -15.7 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.2 m -82.57 -11.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -96.24 -12.04 25.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.674 HG22 ' CD2' ' A' ' 41' ' ' LEU . 2.3 p -77.32 -76.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.94 -0.17 3.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.64 149.41 50.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -95.85 160.28 30.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -52.21 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.66 138.69 10.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.736 . . . . 0.0 110.848 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.87 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.74 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -90.76 133.81 31.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.41 4.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -94.85 127.84 41.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.5 13.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.46 -4.78 85.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 100' ' ' LYS . 19.9 t -81.85 -27.26 33.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.5 28.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.598 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 21.7 tptt -98.26 146.82 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.87 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -141.8 148.46 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -131.25 123.81 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.38 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -110.03 131.35 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 -39.9 96.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -64.19 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.46 -36.97 79.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.3 tp -66.69 -50.97 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -55.76 -49.68 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 78.9 mt -64.39 -25.84 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.865 ' O ' HG22 ' A' ' 114' ' ' THR . 73.3 t60 -81.91 -31.35 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.6 -36.35 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 8.0 ptp180 -58.51 -36.56 74.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.865 HG22 ' O ' ' A' ' 111' ' ' HIS . 14.6 t -72.99 -23.15 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 116' ' ' THR . 5.8 m-70 -70.61 -6.61 38.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 115' ' ' HIS . 4.3 t 44.04 30.05 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 38.76 51.16 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -120.98 128.3 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -99.07 143.65 26.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.523 0.678 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.437 ' HB2' ' CD1' ' A' ' 121' ' ' PHE . 53.6 Cg_endo -69.75 -44.26 2.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 120' ' ' PRO . 51.2 m-85 -127.81 129.73 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -122.93 130.36 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.2 t -41.13 127.25 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.66 -7.18 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.4 t80 -71.11 121.32 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 140.54 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.41 22.21 74.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.555 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 12.3 t -119.86 138.19 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.405 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 17.0 t70 -117.14 105.99 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 16.1 mmm180 -151.76 175.15 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -143.7 138.36 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -138.25 153.53 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.22 -7.75 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER -138.28 130.46 28.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.3 p -51.94 -23.09 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.6 m -74.61 -45.11 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 10.4 m-20 -63.84 -40.51 96.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -58.59 -57.9 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.45 -19.39 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.586 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.9 mttp -81.47 -19.39 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.9 t60 -84.74 -1.88 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.8 -22.51 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.84 -21.33 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.91 -14.73 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.596 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 -79.54 -26.84 41.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 147' ' ' SER . 0.5 OUTLIER -75.43 58.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 146' ' ' THR . 0.9 OUTLIER 36.22 46.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -135.22 168.32 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -134.38 136.98 43.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 t -124.4 171.01 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -133.79 -173.33 13.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 170.27 16.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -132.5 87.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 155' ' ' GLY . 2.4 m -102.01 -55.29 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 154' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -106.01 -50.58 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -46.89 -43.89 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.42 -170.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -79.55 166.18 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -146.81 116.13 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.65 -132.73 2.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -87.33 148.9 45.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -109.29 140.33 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.58 124.32 34.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -108.29 136.64 47.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.06 133.83 34.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' O ' ' A' ' 37' ' ' THR . 10.4 mt -99.3 163.39 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -132.47 147.51 52.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 45' ' ' VAL . 3.0 t -143.53 105.36 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -100.14 98.76 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.4 t-105 -107.15 123.9 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mt -122.93 111.77 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -88.71 138.12 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.56 -27.16 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.97 14.92 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -80.32 154.98 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 24' ' ' LEU . 11.4 tp -107.87 -3.69 18.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.49 129.28 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.1 tpt180 -138.03 139.94 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.74 139.21 53.22 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' PRO . 17.9 mttm -34.43 131.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 27' ' ' PRO . 5.2 mmmt -114.25 176.48 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -111.8 147.79 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.86 131.77 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -95.17 109.65 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.7 ttt85 -176.72 164.07 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 1.1 p -152.78 168.33 26.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 45.2 m-85 -152.83 170.07 21.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -117.62 -17.85 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 ' O ' HD11 ' A' ' 14' ' ' LEU . 16.2 p -120.42 159.19 25.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.619 ' CE ' HD23 ' A' ' 41' ' ' LEU . 8.7 tpt -63.84 -56.01 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -45.49 -36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 5.7 mm-40 -60.48 -47.32 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.619 HD23 ' CE ' ' A' ' 38' ' ' MET . 45.1 tp -63.29 -56.56 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.2 t -54.86 -52.59 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -55.98 -26.73 49.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 38.0 t60 -83.03 -62.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.678 ' CG1' HG21 ' A' ' 82' ' ' ILE . 60.8 t -54.52 -21.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.1 m -93.0 -56.26 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.1 mtt -88.12 -49.88 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 7.9 mm-40 -70.82 4.08 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.17 -73.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.6 t -69.84 -2.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.48 -164.06 48.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.536 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.11 -158.83 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 53.2 Cg_endo -69.81 -19.94 35.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 55' ' ' GLN . 3.7 tp10 -64.11 -62.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' GLU . 17.9 mm-40 -36.23 119.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -75.28 -73.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -79.98 95.38 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.447 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -96.71 128.89 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 9.6 t -141.94 136.87 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.23 115.17 28.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.0 m-85 -112.42 97.52 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.4 t-105 -90.88 146.78 23.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' TRP . 15.3 tt0 -36.69 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' TRP . 51.4 mm-40 -147.15 48.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.572 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 48.5 t -86.89 136.04 34.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -25.63 28.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.563 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 24.6 mmm180 -66.49 -20.06 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER 34.43 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 98.64 30.76 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' ARG . 11.3 mmmt -98.52 95.73 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -62.64 163.36 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.51 161.13 15.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.2 ttpm? -78.75 5.83 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -163.82 158.73 20.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.11 -60.29 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.429 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 55.3 p90 -50.97 -19.72 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -79.0 -40.88 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 78' ' ' LEU . 3.3 tp -79.06 -36.56 40.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.43 HG12 ' CZ ' ' A' ' 83' ' ' ARG . 70.3 t -60.4 -58.21 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 76' ' ' TYR . 80.9 m-20 -53.36 -27.6 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.877 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.8 t60 -67.78 -36.9 81.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.678 HG21 ' CG1' ' A' ' 45' ' ' VAL . 6.9 mt -61.61 -26.26 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' ARG . 2.0 mpt_? -49.7 -39.78 38.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.877 HG22 ' O ' ' A' ' 81' ' ' HIS . 19.4 m -63.49 -24.17 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.7 1.27 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.3 p -129.45 -58.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 57.84 23.56 51.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' OE2' ' CD2' ' A' ' 14' ' ' LEU . 56.8 tt0 -107.84 131.69 54.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.672 ' HE2' HG21 ' A' ' 101' ' ' ILE . 2.6 mppt? -135.57 152.96 77.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.432 ' HD1' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -156.02 142.12 13.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.839 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -90.23 135.7 29.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 1.48 4.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.8 t80 -95.67 132.7 26.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.94 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 42.61 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.436 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 33.9 t -132.57 -59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.91 27.15 70.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 6.7 tptm -94.38 151.02 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.839 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.6 mt -140.44 154.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -136.99 134.79 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.45 0.01 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -125.28 131.11 53.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.1 p -61.63 -47.09 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.8 ' OE2' HD12 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -60.53 -29.9 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.58 -51.17 61.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' HD1' ' A' ' 91' ' ' PHE . 50.6 tp -54.72 -53.98 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.17 -48.49 64.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.8 HD12 ' OE2' ' A' ' 106' ' ' GLU . 68.1 mt -64.21 -25.22 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.588 ' HA ' HG22 ' A' ' 114' ' ' THR . 42.6 t60 -79.98 -43.79 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 5.9 mtpm? -57.03 -31.29 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -81.57 -24.23 36.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 111' ' ' HIS . 1.3 t -101.22 -8.14 22.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.456 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -130.88 -44.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 116' ' ' THR . 53.5 m -96.21 67.2 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -120.3 -49.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.9 157.12 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -90.83 144.28 30.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -41.34 4.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.2 106.79 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -115.97 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.7 t -39.5 110.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.45 -11.33 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 145' ' ' HIS . 4.5 t80 -72.0 122.17 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 152.93 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.76 8.87 42.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.65 143.58 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -124.58 107.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -144.39 -177.31 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -149.94 126.71 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -136.72 160.82 37.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.91 -10.8 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.85 135.84 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -50.91 -27.86 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 m -66.4 -55.58 15.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.34 -42.42 77.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.85 -47.94 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -65.19 -17.75 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.12 -20.36 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 45.3 t60 -89.0 -2.4 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.96 -20.99 25.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -56.11 -20.19 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.17 -16.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 125' ' ' PHE . 21.1 m-70 -76.87 -41.47 43.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.599 HG23 ' OD2' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -57.18 158.62 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m -68.72 101.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.599 ' OD2' HG23 ' A' ' 146' ' ' THR . 8.3 p30 -167.52 134.13 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 93.75 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -126.98 179.75 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 121.66 81.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -17.92 37.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.8 p -164.13 168.81 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.6 t -112.05 136.37 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -127.02 59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -117.81 55.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.2 -151.42 26.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -123.42 133.79 54.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -86.15 121.82 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.23 57.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -94.94 145.73 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -167.48 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.2 mt -107.38 128.0 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -109.67 136.13 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -95.68 119.73 34.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' CD ' ' N ' ' A' ' 14' ' ' LEU . 1.6 tp10 -82.62 131.49 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 13' ' ' GLU . 3.1 mt -125.27 159.31 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 p -134.08 127.83 32.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -100.3 91.93 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -81.71 98.71 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.663 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.9 t-105 -107.03 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.418 HG23 HE22 ' A' ' 23' ' ' GLN . 2.6 mt -120.79 100.27 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.27 128.88 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 6.9 mt-10 -69.61 -29.82 67.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.21 33.3 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.418 HE22 HG23 ' A' ' 19' ' ' ILE . 16.3 pt20 -77.39 122.78 25.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.0 tt -75.38 3.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.17 130.43 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 19.8 mmm-85 -133.98 155.87 79.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.8 155.12 93.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.383 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -48.75 110.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.17 136.09 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.29 122.26 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -97.24 125.74 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -177.75 161.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.5 p -137.26 159.4 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 m-85 -143.66 147.15 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -82.77 -22.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.1 171.66 13.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.715 ' SD ' HG21 ' A' ' 86' ' ' THR . 17.1 tpp -69.74 -55.91 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -46.87 -37.18 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.57 -34.98 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 10.1 tp -77.95 -51.1 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -51.77 -55.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -46.99 -30.85 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.539 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 39.0 t60 -80.28 -62.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.632 HG12 HD13 ' A' ' 82' ' ' ILE . 13.0 t -54.23 -21.76 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -93.12 -56.59 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.8 mtt -87.73 -49.88 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 47.6 mm-40 -70.76 3.79 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.663 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.78 -73.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 82' ' ' ILE . 55.8 t -70.08 -2.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 51.89 176.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -161.09 7.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.83 34.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.41 -15.4 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.538 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -86.92 106.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -55.87 -73.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.75 106.96 18.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.441 ' HB2' HG13 ' A' ' 50' ' ' VAL . 2.7 p-80 -107.42 121.88 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.45 136.54 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -105.1 117.53 34.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 21' ' ' GLU . 49.0 m-85 -103.56 97.22 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.5 t-105 -90.32 145.29 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -44.71 -21.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.548 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 5.1 tt0 -158.44 33.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.4 t -46.95 134.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -18.95 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.98 -13.45 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 63.03 37.49 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.9 64.18 4.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -112.04 136.09 51.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 p -61.66 168.62 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -122.12 -179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.18 -6.56 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.699 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -163.85 176.87 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -76.41 -58.41 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -52.34 -19.71 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.699 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.4 mmmt -72.41 -38.72 68.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 18.9 tp -82.04 -44.26 16.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.46 -41.87 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -67.81 -35.41 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.666 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.0 t60 -58.95 -52.43 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.632 HD13 HG12 ' A' ' 45' ' ' VAL . 3.2 mt -51.07 -18.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -66.19 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.4 m -72.13 -21.97 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.551 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -69.14 -11.25 60.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.715 HG21 ' SD ' ' A' ' 38' ' ' MET . 7.2 p -104.74 -44.83 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.51 20.43 66.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -107.53 114.74 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -95.88 153.0 39.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 53.5 Cg_endo -69.73 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -132.19 143.46 49.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.76 -168.75 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -91.62 135.88 27.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.476 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.1 t80 -94.1 133.51 27.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.78 -53.84 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.88 37.41 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.6 t -134.63 -66.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.89 70.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.584 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 8.5 tptm -89.77 148.53 23.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.687 HG23 ' HA ' ' A' ' 92' ' ' PRO . 2.1 mt -129.09 150.44 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.584 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 5.6 m-85 -134.15 139.22 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 90' ' ' PRO . . . -75.66 -18.34 59.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -110.88 131.5 55.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -61.08 -46.22 91.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.13 -33.23 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.44 -32.04 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HG ' ' CD ' ' A' ' 112' ' ' LYS . 2.1 tp -73.05 -51.36 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -56.56 -48.3 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 96.9 mt -64.38 -35.39 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.864 ' O ' HG22 ' A' ' 114' ' ' THR . 21.1 t60 -79.06 -21.66 46.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 13.8 mtpt -77.65 -29.36 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.564 ' O ' HG22 ' A' ' 116' ' ' THR . 12.2 ptm180 -75.74 -28.28 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.864 HG22 ' O ' ' A' ' 111' ' ' HIS . 10.7 t -70.93 -6.74 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -84.52 10.09 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 113' ' ' ARG . 6.3 t -105.79 -5.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -99.06 -49.4 1.6 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -88.72 131.38 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' CG ' ' CB ' ' A' ' 131' ' ' ARG . 11.3 mmmt -100.21 143.91 27.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.5 m-85 -75.76 114.38 14.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -116.13 133.84 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' LYS . 38.7 t -36.05 125.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.65 -5.81 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.611 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -72.68 122.56 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 6.0 tp10 -65.07 134.06 52.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 84.08 12.08 77.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 t -118.37 144.95 45.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.73 108.09 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -146.16 179.95 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.41 ' CB ' ' CG ' ' A' ' 119' ' ' LYS . 6.2 mtp85 -151.01 137.68 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 121' ' ' PHE . 14.2 m-85 -153.16 160.17 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.24 -7.54 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.424 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.2 OUTLIER -139.92 142.96 36.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 t -57.53 -35.86 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -55.9 -40.71 73.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.0 -47.58 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -60.24 -34.99 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -76.15 -24.79 54.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -74.83 -19.35 60.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -89.07 -1.1 57.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -87.93 -20.9 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -55.26 -21.07 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.39 -13.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.611 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.6 m-70 -82.45 -15.17 53.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.63 168.22 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.8 t -60.84 135.5 57.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -154.72 156.11 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.49 -30.5 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.4 t -172.66 111.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.41 ' N ' ' CD ' ' A' ' 152' ' ' PRO . . . -169.36 55.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 151' ' ' GLY . 54.2 Cg_endo -69.67 109.11 2.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.412 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 m -65.81 125.87 26.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.8 m -58.32 101.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.478 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 70.5 34.99 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -39.86 133.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.06 48.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -48.15 153.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -84.42 103.44 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.61 -175.74 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -110.39 146.04 33.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.68 63.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.42 113.11 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -84.53 103.63 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -115.4 132.0 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -92.69 129.44 38.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 41' ' ' LEU . 11.5 mt -97.29 167.62 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -146.83 130.42 16.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 101.98 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -88.22 98.78 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.683 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.6 t-105 -107.08 117.15 33.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 63' ' ' GLU . 3.2 mt -119.65 100.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 21' ' ' GLU . 4.4 t0 -71.29 135.77 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 1.9 pt-20 -77.06 -41.31 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.33 18.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' CD ' ' HD3' ' A' ' 28' ' ' LYS . 6.9 pt20 -70.77 138.85 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.08 5.45 51.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.6 128.0 35.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -129.75 131.86 23.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.72 173.13 45.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HD3' ' CD ' ' A' ' 23' ' ' GLN . 33.9 mmtm -60.68 118.34 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -105.67 151.85 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -100.09 163.08 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -61.7 154.87 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t0 -121.81 112.43 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -169.39 161.21 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -147.35 158.14 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 56.4 m-85 -151.69 170.08 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -112.56 -22.87 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.498 ' C ' HD11 ' A' ' 14' ' ' LEU . 1.1 p -125.32 154.37 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.533 ' SD ' HG21 ' A' ' 86' ' ' THR . 17.6 tpp -57.62 -55.9 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -43.35 -43.19 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 39.7 mm-40 -59.26 -44.74 92.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 14' ' ' LEU . 17.4 tp -65.93 -53.24 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.3 -58.68 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -48.63 -30.81 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' GLU . 25.5 t60 -79.4 -62.7 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 41' ' ' LEU . 35.5 t -54.89 -21.07 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' GLY . 11.2 m -93.57 -54.22 3.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.46 -51.11 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.6 mt-10 -70.61 3.77 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 8.7 m-70 -141.65 -73.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.82 HG21 HD11 ' A' ' 82' ' ' ILE . 56.0 t -71.02 -3.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 74.86 -179.13 45.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.5 -161.79 36.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -104.93 45.02 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -137.94 137.9 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -89.04 -75.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.75 98.55 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.513 ' HB2' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -107.16 126.44 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.0 137.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -106.95 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m-85 -102.73 97.19 7.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.522 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.53 145.58 24.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 19' ' ' ILE . 42.9 tt0 -44.13 -21.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 62' ' ' TRP . 2.4 mt-10 -158.68 33.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -45.4 134.37 5.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -26.32 27.66 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -85.9 -22.99 27.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 70.01 28.35 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.64 62.65 3.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.82 103.4 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 p -39.2 147.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 78' ' ' LEU . 70.1 m-85 -103.65 -176.2 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -98.81 -11.51 21.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.901 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -158.51 172.28 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -58.17 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.484 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 31.8 p90 -54.94 -18.02 4.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.901 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 12.0 mmmm -74.53 -38.29 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 72' ' ' PHE . 13.3 tp -83.98 -42.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.447 HG22 HG23 ' A' ' 46' ' ' THR . 53.0 t -55.0 -46.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.9 OUTLIER -56.72 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.744 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.1 t60 -62.43 -47.43 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.82 HD11 HG21 ' A' ' 50' ' ' VAL . 3.4 mt -54.58 -17.12 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mmm-85 -69.94 -32.57 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.0 m -72.03 -20.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.522 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.1 m-70 -70.96 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.533 HG21 ' SD ' ' A' ' 38' ' ' MET . 19.9 p -103.58 -61.33 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.69 27.05 7.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.18 136.62 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.561 ' HE2' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -134.89 156.6 78.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 54.2 Cg_endo -69.74 -52.23 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -156.45 140.73 11.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.897 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.73 -171.28 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.264 . . . . 0.0 112.365 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -89.92 136.08 29.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.4 t80 -94.76 133.93 25.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.07 46.81 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.4 t -136.79 -48.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.14 28.8 19.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 19.7 tptt -95.66 153.61 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.897 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -143.69 159.8 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -143.51 131.69 21.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HA ' ' CD ' ' A' ' 90' ' ' PRO . . . -70.41 -10.39 58.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -110.28 132.56 54.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.7 p -67.96 -35.45 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.8 -20.97 55.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -81.57 -38.86 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 102' ' ' PHE . 10.7 tp -65.22 -52.66 53.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 5.0 ptpt -55.39 -49.22 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 88.8 mt -55.05 -33.92 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.698 ' CE1' ' CB ' ' A' ' 115' ' ' HIS . 6.3 t60 -77.07 -54.14 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 116' ' ' THR . 10.0 mtpt -46.05 -28.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 5.5 ptm180 -86.12 -28.9 23.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.686 HG22 ' HA ' ' A' ' 111' ' ' HIS . 1.2 t -101.38 1.41 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.698 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -121.69 -1.77 9.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 112' ' ' LYS . 9.8 t -98.33 -35.09 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.94 -14.42 16.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.2 138.19 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 151.06 37.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.97 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -110.57 108.64 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.2 ttpp -116.73 127.89 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 122' ' ' LYS . 43.8 t -36.4 117.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -72.84 -5.33 37.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.527 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.0 t80 -72.5 121.95 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.1 153.55 29.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.85 16.84 53.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.63 143.18 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -124.96 105.94 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 3.8 mmm180 -142.61 179.79 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -151.63 125.41 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 9.3 m-85 -132.75 163.61 28.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.86 -15.03 10.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.504 ' ND2' ' OD2' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -138.4 141.54 39.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t -48.2 -53.94 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.1 m -41.24 -54.82 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.504 ' OD2' ' ND2' ' A' ' 134' ' ' ASN . 24.6 m-20 -54.32 -52.52 61.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.493 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 13.3 ttp180 -54.58 -42.82 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -68.94 -26.84 65.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.7 mtpp -75.14 -19.13 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 65.3 t60 -85.42 -1.67 57.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.85 -23.22 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.63 -20.81 8.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.51 -15.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.527 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 -80.62 -0.78 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 60.3 p -90.7 -73.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 148' ' ' ASP . 1.5 p -114.42 -69.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 147' ' ' SER . 4.8 t70 -35.81 126.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -132.64 153.4 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 151' ' ' GLY . 13.5 p -170.46 150.16 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 150' ' ' SER . . . -32.9 96.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 150' ' ' SER . 53.5 Cg_endo -69.75 -27.89 25.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.322 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.7 t -87.18 83.56 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 41.4 m -50.42 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.509 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -149.05 135.37 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -137.4 133.64 35.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.27 67.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -141.9 114.05 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -152.82 -177.61 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.47 150.66 21.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.19 144.28 28.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mt -90.98 114.9 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -100.27 127.25 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -90.14 144.83 25.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.52 131.58 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 37' ' ' THR . 4.5 mt -104.15 163.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -127.76 140.82 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.19 92.83 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -86.23 98.97 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 20.1 t-105 -107.33 122.5 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 5.4 mt -122.66 99.21 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.2 t70 -74.5 104.04 5.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 4.8 pt-20 -35.71 -36.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -101.24 46.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.515 ' NE2' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.87 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 24' ' ' LEU . 1.9 tm? -123.91 1.71 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.29 174.03 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 8.1 mmt85 -149.94 132.92 8.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.75 -179.44 19.16 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.316 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HD2' ' NE2' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -56.93 131.87 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -114.31 144.15 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.51 162.46 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 128.11 34.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 92.73 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -131.88 163.43 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.6 p -149.29 158.69 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 70.1 m-85 -151.01 171.01 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.6 m -107.35 -12.64 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.472 ' O ' HD11 ' A' ' 14' ' ' LEU . 72.8 p -138.3 169.6 17.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 tpp -69.89 -55.91 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -48.66 -47.71 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.89 -32.95 22.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 45' ' ' VAL . 18.6 tp -77.93 -47.52 18.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.58 -56.68 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.1 m -47.55 -31.79 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.7 t60 -80.45 -62.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.453 HG23 HD12 ' A' ' 41' ' ' LEU . 42.9 t -53.86 -21.98 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.8 m -93.09 -56.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -87.55 -49.91 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 18.7 mm-40 -70.54 3.31 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.46 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 82' ' ' ILE . 54.5 t -69.96 -2.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 65.72 -157.77 47.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.29 -165.24 20.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -2.49 10.23 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.83 -23.67 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -69.62 109.41 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -50.5 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -83.22 112.51 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.544 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -100.47 109.71 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.91 138.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.03 113.13 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -98.65 97.16 8.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.57 145.37 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.97 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.3 mm-40 -158.82 33.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.0 t -47.02 134.36 8.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.24 11.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.518 HH21 ' CD2' ' A' ' 81' ' ' HIS . 5.5 mtm105 -101.26 -28.4 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 8.7 mt-10 79.13 26.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.43 56.23 5.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -108.38 104.42 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -43.97 159.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -105.67 -175.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -95.88 -1.5 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -169.28 -174.82 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -81.7 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 35.9 p90 -51.72 -27.89 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 13.9 mmmm -67.64 -31.85 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 60' ' ' CYS . 16.1 tp -86.02 -46.78 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.08 -42.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.677 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.3 t60 -62.78 -46.29 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 50' ' ' VAL . 2.9 mt -54.39 -19.5 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.31 -16.03 63.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.1 m -88.36 -23.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.682 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.42 -5.35 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 41' ' ' LEU . 41.0 p -107.62 -4.76 17.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.87 14.81 3.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -81.37 123.54 28.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.719 ' HG3' HG21 ' A' ' 101' ' ' ILE . 9.3 mmmt -97.42 153.06 38.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.711 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.408 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 53.7 Cg_endo -69.81 -51.37 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.736 2.29 . . . . 0.0 112.306 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.8 OUTLIER -156.29 128.99 4.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.657 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.2 Cg_endo -69.71 -169.12 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -90.38 136.13 28.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.464 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.72 3.75 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.454 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.7 t80 -107.76 126.46 29.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.71 -52.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.79 -2.74 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -99.26 -50.19 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.87 29.01 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 33.5 tptt -94.46 152.18 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.719 HG21 ' HG3' ' A' ' 89' ' ' LYS . 7.1 mt -135.12 137.95 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -121.84 160.06 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.69 -14.3 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -114.94 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.58 -47.52 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.33 -34.31 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -67.53 -45.44 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 102' ' ' PHE . 9.5 tp -65.7 -55.56 16.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -50.6 -43.55 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 95.1 mt -72.15 -31.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.915 ' O ' HG22 ' A' ' 114' ' ' THR . 27.1 t60 -80.95 -20.96 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.3 mtpm? -78.82 -36.31 42.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -64.58 -17.01 63.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.915 HG22 ' O ' ' A' ' 111' ' ' HIS . 6.9 t -90.29 -7.35 53.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -79.98 -48.53 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.7 t -50.05 169.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.97 -94.86 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -95.91 146.35 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.98 0.419 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.12 143.95 31.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -35.94 11.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 135' ' ' SER . 40.9 m-85 -104.13 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -122.44 135.25 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.82 114.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.51 -4.59 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.502 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -73.25 125.92 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -68.74 134.55 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.54 11.05 82.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.56 143.85 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -122.36 106.07 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' HG2' ' A' ' 131' ' ' ARG . 18.4 mmt180 -146.61 165.17 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.407 ' HG2' ' C ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -137.13 127.71 26.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.42 152.09 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.34 -24.37 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -125.43 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.52 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 80.4 p -51.95 -48.77 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.4 t -40.88 -48.27 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.78 -49.13 78.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.55 -37.1 72.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.77 -22.25 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -80.76 -21.19 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.0 t60 -86.03 -1.22 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.6 mmt -87.86 -21.17 25.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -55.29 -20.78 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.29 -14.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.502 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.5 m-70 -81.8 -36.61 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.2 m -77.45 -47.33 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 t -56.55 164.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -123.87 4.82 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -111.55 152.37 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -77.14 115.91 17.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.42 -169.21 12.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.28 53.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.392 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 21.5 t -126.15 59.95 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.9 t -71.73 -42.4 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.492 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -128.39 151.23 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -50.48 133.77 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 -112.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 -54.61 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 43.79 29.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.72 137.59 4.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.63 148.81 39.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -163.95 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.14 136.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -108.0 134.15 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.28 132.04 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -93.72 133.84 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -93.78 167.31 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -131.87 128.22 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' HG22 ' A' ' 45' ' ' VAL . 1.8 t -121.17 104.84 10.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -101.69 98.9 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.8 t-105 -107.09 111.34 23.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 28' ' ' LYS . 4.8 mt -114.57 102.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.916 ' OD2' ' HB3' ' A' ' 22' ' ' ALA . 28.5 t70 -78.12 114.85 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.31 -24.38 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.916 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . . . -72.53 -2.71 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ASP . 2.0 pt20 -60.53 160.28 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.22 16.94 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -112.33 150.15 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.4 tmm_? -143.43 133.72 12.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.77 167.25 71.74 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.339 0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 10.8 mmtp -43.85 168.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 141.84 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.1 p -103.42 137.48 41.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.78 -26.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 50.87 59.3 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 6.1 tpm_? -109.56 151.69 26.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 p -137.33 161.15 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -152.31 170.89 18.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -109.91 -9.31 14.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -144.02 153.97 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 tpp -55.58 -55.98 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -45.09 -46.13 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.18 -36.29 68.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 HD21 HG22 ' A' ' 86' ' ' THR . 15.5 tp -71.98 -57.54 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.09 -57.1 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.8 m -50.83 -28.05 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -83.0 -62.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.606 HG11 ' CG2' ' A' ' 82' ' ' ILE . 19.9 t -54.2 -21.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.4 m -93.1 -56.28 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.9 mtt -88.0 -49.76 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 58.2 mm-40 -70.77 3.54 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -142.73 -73.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.0 t -69.71 -2.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.37 -164.26 44.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.04 -163.48 31.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.55 4.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -86.05 -34.13 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -52.91 135.1 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.94 -71.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -86.14 129.09 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.808 ' HB3' HD23 ' A' ' 78' ' ' LEU . 6.8 m170 -105.25 106.31 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.38 134.51 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.462 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.33 114.02 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 1.6 m-85 -100.27 97.06 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.693 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.68 145.14 25.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -43.55 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 16.6 tt0 -157.86 33.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -45.06 134.01 5.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.687 0.756 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.51 36.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -94.22 -23.12 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 73.94 30.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.21 59.27 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -101.24 118.4 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 p -48.06 154.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 19.3 m-85 -110.68 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -96.08 -7.54 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -164.48 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.14 -51.71 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 2.4 p90 -58.45 -28.01 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.834 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 21.0 mmmt -62.69 -40.3 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 58' ' ' HIS . 8.2 tp -84.82 -49.35 8.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -49.6 -31.22 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.69 -35.96 60.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.861 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.8 t60 -64.38 -41.08 96.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.606 ' CG2' HG11 ' A' ' 45' ' ' VAL . 4.2 mt -51.46 -27.95 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -63.43 -29.24 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.5 m -69.16 -22.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.693 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 11.8 m-70 -74.72 -13.0 60.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.589 HG22 HD21 ' A' ' 41' ' ' LEU . 1.2 p -105.76 -50.17 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.43 41.57 25.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -108.02 117.18 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HE3' ' C ' ' A' ' 102' ' ' PHE . 7.1 mmmt -132.72 144.32 52.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.7 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -156.27 142.51 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.853 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -89.94 135.47 30.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.471 ' CD ' HD11 ' A' ' 108' ' ' LEU . 54.1 Cg_endo -69.78 -22.78 31.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.384 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.95 128.77 93.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.697 0.761 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 125.76 12.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.03 -6.89 83.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 100' ' ' LYS . 16.1 t -80.46 -32.15 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.3 24.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 17.5 tptt -88.87 147.45 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.853 HG23 ' HA ' ' A' ' 92' ' ' PRO . 2.4 mt -139.58 152.13 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.1 m-85 -134.04 135.02 43.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.13 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -128.9 131.13 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.1 p -57.75 -56.28 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.31 -42.52 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.44 -42.1 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.511 HD23 ' CD1' ' A' ' 91' ' ' PHE . 10.0 tp -67.64 -44.4 78.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.66 -38.92 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -77.53 -30.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 114' ' ' THR . 66.1 t60 -77.98 -21.67 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.4 mtpm? -80.72 -37.85 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 113' ' ' ARG . 3.5 ptm85 -66.82 -28.28 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 3.0 t -75.49 -27.12 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -57.7 -63.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -38.55 134.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 89.59 -54.33 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -81.05 122.2 27.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' CD ' ' HD2' ' A' ' 120' ' ' PRO . 12.2 mmtp -94.02 157.93 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.425 ' HD2' ' CD ' ' A' ' 119' ' ' LYS . 53.8 Cg_endo -69.71 -47.78 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -93.42 124.25 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -122.94 136.33 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 49.3 t -40.08 115.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -64.97 -11.5 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -71.02 123.22 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.6 151.32 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.91 11.73 58.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.4 t -113.68 149.29 34.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -124.91 109.21 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -149.02 179.73 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 128.56 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -139.18 154.5 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.8 -11.48 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -139.69 132.14 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -46.74 -39.79 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -51.56 -53.97 32.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.47 -37.98 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.66 -49.25 78.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 64.6 mttt -76.78 -20.44 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.1 t60 -84.86 -2.25 57.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.7 mmt -87.92 -21.18 25.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.98 -21.21 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.58 -16.35 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.6 m-70 -76.18 -19.95 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.91 -69.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -120.05 78.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -38.63 105.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -110.22 160.1 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 41.0 t -147.94 179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 136.19 -69.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 104.37 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 36.6 m -64.3 107.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.0 p -87.09 99.2 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.451 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -120.28 -179.73 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 4' ' ' GLY . 5.1 t -168.48 174.66 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 3' ' ' SER . . . 84.13 -99.29 2.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p -119.23 76.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 t -152.0 158.3 42.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 179.31 42.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -122.59 144.22 41.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 -173.21 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.92 126.62 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -88.92 137.0 32.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -84.14 139.86 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 3.1 pt-20 -90.97 148.09 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -130.47 165.08 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m -132.14 164.86 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 100.29 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.16 98.93 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 13.7 t-105 -107.13 123.45 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.509 HG23 HE22 ' A' ' 23' ' ' GLN . 1.9 mt -122.44 100.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 9.0 t70 -77.77 130.7 37.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.7 -34.04 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.93 1.87 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.509 HE22 HG23 ' A' ' 19' ' ' ILE . 15.4 pt20 -67.66 126.12 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.2 16.06 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.6 t -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.2 tpt180 -153.05 140.25 13.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.8 Cg_endo -69.74 149.89 89.24 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.343 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HE2' ' NE2' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -44.85 124.2 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.97 149.54 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -101.23 151.42 21.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 140.03 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -116.67 121.37 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 18.7 ttt85 -174.24 168.08 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 p -145.06 168.03 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE1' HD13 ' A' ' 41' ' ' LEU . 2.4 m-85 -152.16 164.62 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -104.71 -27.68 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 p -123.7 169.45 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.58 -55.97 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -48.83 -34.72 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.21 -44.33 95.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.704 HD23 HG22 ' A' ' 86' ' ' THR . 22.0 tp -67.61 -57.88 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.769 HG11 ' NH1' ' A' ' 83' ' ' ARG . 57.2 t -49.87 -53.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.6 m -50.75 -30.24 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 33.8 t60 -80.97 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.564 HG12 HD13 ' A' ' 82' ' ' ILE . 14.0 t -54.04 -21.91 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.17 -56.44 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.0 mtt -87.35 -49.96 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 31.4 mm-40 -70.85 3.51 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.3 -73.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.9 t -69.78 -2.89 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.62 -170.17 46.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.21 -162.28 34.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.59 -44.25 7.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.466 ' NE2' ' HA3' ' A' ' 51' ' ' GLY . 4.1 tt0 -42.83 107.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -54.86 -76.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.01 98.45 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.785 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -98.7 109.72 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.51 134.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.573 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -102.33 113.73 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -99.21 96.88 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 85' ' ' HIS . 6.0 t-105 -90.93 145.12 25.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HA ' HD12 ' A' ' 19' ' ' ILE . 28.4 tt0 -45.02 -25.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -151.42 31.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -44.41 134.23 4.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -19.59 35.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -88.57 -1.19 57.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 49.44 31.36 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.97 63.21 3.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -112.99 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LYS . 3.5 t -36.82 154.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CE1' HD13 ' A' ' 78' ' ' LEU . 63.9 m-85 -102.91 -173.71 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 15.12 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.976 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -162.53 178.65 8.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -88.76 -47.9 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 24.6 p90 -65.95 -18.98 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.976 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 24.3 mmmt -70.48 -40.48 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.785 HD23 ' HB2' ' A' ' 58' ' ' HIS . 2.4 tp -80.15 -52.98 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -51.4 -30.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.4 -21.04 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.681 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.5 t60 -75.4 -44.08 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.608 HD11 HG21 ' A' ' 50' ' ' VAL . 2.0 mt -52.71 -24.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.769 ' NH1' HG11 ' A' ' 42' ' ' VAL . 15.1 mmt180 -59.25 -16.15 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.5 m -87.64 -10.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.566 ' HB3' ' CZ2' ' A' ' 62' ' ' TRP . 23.4 m-70 -98.11 -4.27 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.704 HG22 HD23 ' A' ' 41' ' ' LEU . 1.8 p -86.7 -75.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.13 3.34 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.65 144.5 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.86 ' HG3' HG21 ' A' ' 101' ' ' ILE . 13.0 mmmt -96.86 155.07 38.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -155.0 117.65 2.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.691 0.758 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.754 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.76 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.94 136.02 29.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.539 ' O ' ' HB1' ' A' ' 133' ' ' ALA . 54.6 Cg_endo -69.71 3.48 2.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.4 t80 -107.95 131.41 21.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.9 Cg_endo -69.77 -53.74 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.74 -2.86 13.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.3 t -100.48 -48.81 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.69 25.32 3.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.597 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 15.5 tptt -89.27 152.23 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.86 HG21 ' HG3' ' A' ' 89' ' ' LYS . 6.9 mt -136.21 144.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.597 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -128.87 159.85 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.08 0.09 48.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -123.37 150.17 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.4 p -76.1 -46.84 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 107' ' ' ASN . 4.0 pt-20 -60.38 -34.71 74.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.408 ' N ' ' HG2' ' A' ' 106' ' ' GLU . 2.7 m120 -60.89 -49.0 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.411 HD21 ' O ' ' A' ' 92' ' ' PRO . 7.2 tp -63.78 -59.05 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -40.9 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 72.9 mt -75.59 -31.37 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.927 ' O ' HG22 ' A' ' 114' ' ' THR . 17.5 t60 -81.0 -20.04 42.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.478 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 7.3 mtpm? -76.75 -28.65 55.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 9.9 ptm180 -77.23 -15.41 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.927 HG22 ' O ' ' A' ' 111' ' ' HIS . 10.7 t -88.79 0.95 56.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -84.09 -67.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.2 m -174.0 158.35 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . -81.27 -40.93 10.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -85.13 157.78 20.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.41 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -89.83 144.1 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.32 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.398 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.65 123.2 44.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' CYS . 14.1 ttpp -122.69 133.21 54.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.414 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 47.8 t -37.28 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.438 ' HG3' ' HE1' ' A' ' 142' ' ' MET . 4.3 pt-20 -63.89 -7.71 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.488 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.7 t80 -71.17 120.62 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 10.6 tp10 -62.05 145.13 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.463 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 70.76 18.16 75.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.47 144.57 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.92 105.97 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -151.02 177.39 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -147.23 128.24 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -127.34 158.93 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 94' ' ' PRO . . . -111.08 -19.21 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.42 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.7 OUTLIER -130.48 137.63 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -53.2 -36.08 60.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -55.63 -44.23 76.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 29.5 m-20 -63.75 -43.96 94.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -57.13 -45.0 83.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -72.52 -21.19 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.2 mtpp -84.89 -21.14 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 69.8 t60 -81.47 -3.39 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.438 ' HE1' ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -88.02 -18.69 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.2 OUTLIER -59.72 -20.26 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.519 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.2 -19.46 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.488 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 22.7 m-70 -72.69 -39.73 66.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.6 m -94.15 124.32 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 39.0 t -146.57 172.69 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 148' ' ' ASP . 11.2 p-10 -157.85 162.05 38.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -83.6 163.83 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.9 p 39.61 43.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -50.87 150.12 6.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -31.88 19.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 92.5 p -105.36 -179.14 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 t -149.97 151.65 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.45 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -55.04 149.66 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -120.25 -33.48 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.04 67.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 106.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -151.56 175.13 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.48 -80.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' CD ' ' HD2' ' A' ' 9' ' ' PRO . 5.0 tp60 -112.29 140.14 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' CD ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.77 120.46 7.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.404 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -119.77 134.42 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.81 108.78 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -112.99 139.77 48.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -90.51 122.55 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 38' ' ' MET . 26.7 mt -102.3 167.9 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -140.5 131.56 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.74 87.98 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -81.3 98.89 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.74 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 18.3 t-105 -107.05 122.91 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 63' ' ' GLU . 2.6 mt -122.73 99.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 2.5 t0 -74.6 103.27 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -37.07 -51.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.88 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.53 HE22 ' H ' ' A' ' 29' ' ' LYS . 17.3 pt20 -78.91 141.94 37.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.56 16.25 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 18.7 p -111.7 144.74 40.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.4 mmm180 -153.1 134.87 8.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.73 152.5 92.3 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.341 -0.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 18.4 mttm -45.8 125.75 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' H ' HE22 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -111.82 175.46 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 31' ' ' CYS . 3.1 p -117.92 125.07 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.0 t -35.01 99.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.28 111.95 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -175.11 168.96 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.638 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.7 t -156.5 174.01 16.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -152.1 167.22 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -88.5 -45.51 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.2 p -114.12 157.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.3 tpp -57.98 -54.82 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -42.02 -43.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.42 -44.55 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 86' ' ' THR . 12.8 tp -69.19 -48.75 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.663 HG22 HH22 ' A' ' 83' ' ' ARG . 13.6 t -51.38 -51.49 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.1 m -56.46 -25.82 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.8 t60 -83.03 -62.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 HD13 ' A' ' 82' ' ' ILE . 19.4 t -54.41 -21.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.1 m -93.18 -56.3 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.0 mtt -88.01 -50.01 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.531 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 30.8 mm-40 -70.63 3.41 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.5 m-70 -142.33 -73.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 50' ' ' VAL . 55.7 t -70.0 -2.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 48.01 -174.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.64 -168.45 42.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.69 -23.14 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -59.02 126.77 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -46.18 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -112.54 130.73 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.58 ' HB3' HD23 ' A' ' 78' ' ' LEU . 7.7 m-70 -95.85 106.79 18.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 t -139.25 136.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.84 112.8 24.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 11.6 m-85 -99.32 97.36 8.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.6 t-105 -90.28 145.39 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.9 tt0 -42.39 -22.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' TRP . 32.6 mm-40 -159.55 33.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.492 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -43.8 134.52 3.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 54.1 Cg_endo -69.79 -26.17 27.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.18 -22.35 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 73.83 34.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.43 55.38 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 8.7 mmmt -87.79 89.59 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m -35.0 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 29.4 m-85 -123.24 160.71 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE2' ' CA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -99.2 40.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.791 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -173.84 136.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.807 ' O ' HG23 ' A' ' 79' ' ' VAL . 12.9 mmmt -61.32 -36.88 81.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -85.35 -6.74 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.791 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 15.8 mmtt -80.18 -41.13 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.685 ' O ' HD12 ' A' ' 78' ' ' LEU . 4.1 tp -78.83 -37.09 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 75' ' ' LYS . 44.0 t -60.16 -56.42 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.44 ' C ' ' HD2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -47.71 -28.29 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -72.12 -41.04 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.729 HD13 HG12 ' A' ' 45' ' ' VAL . 2.8 mt -58.27 -23.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.663 HH22 HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -47.72 -40.63 20.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 m -68.23 -24.27 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.17 -1.06 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 41' ' ' LEU . 46.8 p -115.34 -44.73 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.31 27.35 2.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -98.6 135.41 40.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -119.21 146.11 39.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 54.2 Cg_endo -69.68 -50.8 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.608 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -155.98 143.4 13.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.898 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.78 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.9 135.86 24.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.473 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.4 Cg_endo -69.72 3.13 2.93 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -96.9 132.5 25.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.73 -53.92 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.35 42.27 3.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.2 t -134.14 -55.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.18 25.96 57.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 35.0 tptt -92.1 150.79 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.898 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.0 mt -139.68 140.97 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -125.82 134.35 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.64 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -110.1 131.12 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.3 p -57.94 -51.23 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 6.6 tt0 -54.54 -43.25 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -58.47 -38.56 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 102' ' ' PHE . 6.3 tp -72.04 -46.7 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -60.71 -48.12 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 64.5 mt -63.99 -33.04 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.834 ' O ' HG22 ' A' ' 114' ' ' THR . 27.4 t60 -80.3 -24.43 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 14.2 mtpt -78.56 -32.47 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 0.8 OUTLIER -66.29 -29.12 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.834 HG22 ' O ' ' A' ' 111' ' ' HIS . 14.3 t -75.72 -21.58 57.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -71.01 -8.91 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 -22.91 42.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.56 -68.89 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -110.22 155.04 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -111.3 145.18 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.712 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -40.27 5.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.286 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -115.69 126.58 54.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -123.03 138.01 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 50.6 t -43.83 115.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.54 -7.37 37.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -71.48 141.05 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.98 152.88 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 53.78 26.9 34.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 5.9 t -121.81 139.71 53.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -120.0 106.74 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -148.01 -178.08 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -155.29 130.29 9.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.31 146.64 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.25 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.63 152.88 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 m -60.19 -49.04 79.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 p -45.59 -46.47 14.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.63 -35.12 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.22 -53.57 42.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -60.69 -20.69 61.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.8 mttp -76.95 -19.57 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 55.7 t60 -85.33 -2.28 57.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -87.86 -22.24 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -56.05 -20.65 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.11 -16.16 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.52 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 18.2 m-70 -77.39 -36.65 53.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.0 m -137.32 -178.23 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -79.06 114.93 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -140.79 120.88 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 44.2 t -113.23 152.74 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -160.93 -163.34 13.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 156.92 62.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.721 2.28 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.3 t -143.01 136.96 28.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.8 t -84.26 177.18 8.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.484 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -157.46 177.39 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -134.16 148.88 50.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.09 -140.78 5.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -119.52 152.79 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -40.25 147.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 -176.68 47.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -109.71 144.0 29.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.31 2.83 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 mt -94.95 112.9 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -120.45 128.22 52.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -91.37 144.15 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -94.47 131.46 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.14 161.34 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -126.6 127.9 45.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 45' ' ' VAL . 8.6 t -111.42 93.73 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' ' HZ3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -94.33 98.91 11.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 9.7 t-105 -107.17 114.46 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -111.52 113.67 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.42 133.22 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.94 -40.18 54.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.87 28.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 7.9 pt20 -80.54 137.54 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.9 tt -92.79 0.4 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.46 127.88 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.555 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.6 tpt180 -128.78 140.01 37.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.81 165.56 76.45 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' CD ' ' A' ' 23' ' ' GLN . 32.9 mmtm -50.28 118.96 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -105.04 152.42 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 5.2 p -104.97 163.94 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.19 -56.61 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.06 57.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.597 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 19.2 tpt180 -115.92 152.24 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.509 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.4 p -130.27 164.0 25.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -153.04 166.77 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -97.49 -32.53 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -126.06 165.24 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.852 ' CE ' HD23 ' A' ' 41' ' ' LEU . 6.1 tpt -64.82 -55.62 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -44.39 -33.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.34 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.852 HD23 ' CE ' ' A' ' 38' ' ' MET . 62.2 tp -72.8 -38.84 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.44 -57.46 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.37 -28.03 27.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t60 -82.78 -62.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.633 ' CG1' HG21 ' A' ' 82' ' ' ILE . 75.6 t -53.72 -22.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 42.9 m -93.04 -56.4 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.0 mtt -87.26 -50.04 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.5 mm-40 -70.67 3.26 3.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.07 -74.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.925 HG21 HD11 ' A' ' 82' ' ' ILE . 55.2 t -69.42 -2.96 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 72.73 -173.76 46.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.78 -160.64 23.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.84 5.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -104.3 7.38 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 18.7 tp60 -86.58 146.31 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 57' ' ' ASN . 1.1 p-10 -90.02 -71.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 29.2 t30 -95.21 100.76 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -90.7 111.35 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.638 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 2.4 t -138.6 132.51 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.24 114.29 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.638 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.6 m-85 -111.77 97.38 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.7 t-105 -90.9 146.54 23.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -37.81 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 62' ' ' TRP . 3.3 mm-40 -148.6 49.63 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.566 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 41.9 t -86.57 135.24 36.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.76 37.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 1.6 mmp_? -67.38 -32.21 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 54.05 15.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.587 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 119.59 -24.69 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.55 105.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -177.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -113.69 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -100.69 -10.65 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . . . -148.59 153.48 38.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -63.46 -54.46 36.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 77' ' ' LYS . 6.2 p90 -55.91 -34.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -68.77 -33.61 74.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.99 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -77.01 -43.73 33.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.37 -51.56 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -51.48 -33.8 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.764 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 t60 -68.65 -39.5 80.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.925 HD11 HG21 ' A' ' 50' ' ' VAL . 10.9 mt -65.01 -16.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.5 -20.94 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.8 m -80.87 -21.66 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -77.87 -4.54 47.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.467 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 26.9 p -117.24 -64.87 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 136.2 29.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -108.06 148.92 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.777 ' HG2' HG22 ' A' ' 101' ' ' ILE . 1.2 tptt -95.77 147.36 32.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.75 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.031 ' CE2' HD23 ' A' ' 108' ' ' LEU . 1.5 p90 -154.03 122.2 3.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.783 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.3 Cg_endo -69.71 -165.8 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 42.6 t -89.74 131.23 40.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -68.8 132.75 90.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.8 Cg_endo -69.73 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.23 40.8 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 8.2 t -135.71 -55.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.36 19.26 39.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 7.3 tptm -83.25 150.91 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.783 HG23 ' HA ' ' A' ' 92' ' ' PRO . 5.0 mt -129.51 147.43 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.617 ' CZ ' ' CG ' ' A' ' 111' ' ' HIS . 9.0 m-85 -131.92 135.17 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.47 -13.1 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.13 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -61.23 -48.48 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.75 -30.11 65.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -72.09 -53.28 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.031 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.2 tp -61.36 -53.4 57.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -52.83 -34.19 52.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 96.8 mt -84.33 -29.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.701 ' O ' HG22 ' A' ' 114' ' ' THR . 57.8 t60 -79.41 -22.24 44.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -79.65 -28.52 40.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 1.4 ptp180 -76.09 -32.97 59.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 111' ' ' HIS . 11.6 t -68.17 -22.27 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -67.67 -3.84 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.58 177.25 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.9 -77.75 1.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.49 137.92 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.482 ' CG ' ' HB3' ' A' ' 131' ' ' ARG . 7.5 mmpt? -111.26 147.17 36.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -50.56 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.2 m-85 -77.24 102.99 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.9 ttpt -106.31 137.6 43.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' LYS . 25.8 t -37.57 134.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.1 -6.41 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -71.73 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.17 21.08 79.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 10.7 t -121.09 148.62 43.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.99 109.1 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -151.95 173.78 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.482 ' HB3' ' CG ' ' A' ' 119' ' ' LYS . 10.5 mmt180 -145.28 134.37 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 121' ' ' PHE . 38.8 m-85 -147.4 161.5 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.86 -11.23 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.71 136.46 35.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -49.0 -37.76 21.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.2 m -53.45 -52.19 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.75 -48.19 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -59.05 -36.99 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -73.64 -24.38 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -74.4 -21.11 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 39.4 t60 -86.27 0.29 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.67 -20.31 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -56.43 -20.09 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.38 -18.01 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 17.2 m-70 -76.86 -34.0 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.29 1.37 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.6 t -113.57 144.94 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -93.42 13.64 21.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -102.82 151.36 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.9 t -60.13 -29.9 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 162.25 161.11 11.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 80.6 p -91.8 107.08 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -110.35 -64.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.19 -0.784 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -131.88 87.8 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -166.58 138.09 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.46 168.74 29.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -123.36 158.06 31.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.39 . . . . 0.0 110.806 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -151.11 140.61 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 71.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.15 146.33 36.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.72 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 mt -96.71 140.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -90.9 137.64 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -90.55 127.28 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.7 133.87 34.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.609 ' O ' HG22 ' A' ' 34' ' ' THR . 8.8 mt -92.54 167.89 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.1 m -148.61 134.89 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.33 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -83.59 98.85 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 15.4 t-105 -107.03 118.58 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.437 HD12 ' HG3' ' A' ' 63' ' ' GLU . 2.6 mt -118.36 99.11 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 18.5 m-20 -74.0 112.18 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.72 -32.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.35 39.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -42.35 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.2 tt -106.53 0.02 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -128.09 174.68 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 12.0 tpt180 -146.93 132.87 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -172.09 7.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.332 0.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 87.2 mttt -63.33 126.92 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 160.61 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.73 152.09 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.64 98.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.25 84.88 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -140.66 158.15 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 14' ' ' LEU . 4.3 p -148.78 168.19 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -152.44 170.11 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -96.85 -36.2 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -114.32 158.77 21.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.7 tpp -65.44 -44.0 88.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -53.06 -43.27 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.12 -39.23 74.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 tp -73.46 -51.57 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 HH12 ' A' ' 83' ' ' ARG . 10.6 t -50.76 -56.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -52.91 -26.31 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.3 t60 -82.89 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.628 ' CG1' HG21 ' A' ' 82' ' ' ILE . 37.6 t -54.1 -21.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 19.3 m -93.05 -56.33 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 mtt -87.96 -49.87 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 24.3 mm-40 -70.67 3.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.718 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 9.9 m-70 -142.38 -73.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.772 HG21 HD11 ' A' ' 82' ' ' ILE . 54.9 t -69.7 -2.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.42 -169.69 43.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.67 -165.48 30.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.43 10.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.72 27.82 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.439 ' NE2' ' HA3' ' A' ' 51' ' ' GLY . 8.3 mp0 -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -85.74 -63.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -81.5 102.56 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.517 ' HB2' HD23 ' A' ' 78' ' ' LEU . 1.8 p-80 -109.27 111.27 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.2 t -140.14 138.34 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 116.86 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.8 96.78 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.574 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 3.9 t-105 -90.39 144.93 25.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 19' ' ' ILE . 46.6 tt0 -43.71 -26.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -151.56 30.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.0 t -42.53 134.24 2.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.66 26.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 16.4 mmm180 -85.25 -18.65 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 4.3 mt-10 69.47 34.93 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.43 61.5 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -109.52 113.67 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.9 p -43.27 161.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.79 -179.8 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -84.72 -22.12 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -147.84 170.59 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -52.65 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.401 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 13.7 p90 -58.38 -24.14 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.61 -37.43 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 58' ' ' HIS . 54.8 tp -80.11 -41.67 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.59 -34.13 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -74.64 -25.33 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.656 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.8 t60 -71.04 -49.51 44.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.772 HD11 HG21 ' A' ' 50' ' ' VAL . 3.7 mt -55.57 -17.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.529 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -61.51 -25.58 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 81' ' ' HIS . 5.9 m -83.66 -19.98 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.574 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -75.52 -25.28 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 p -63.1 -57.61 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.77 27.08 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.88 114.32 28.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' HG3' HG21 ' A' ' 101' ' ' ILE . 8.4 mmmt -133.26 147.9 66.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 54.0 Cg_endo -69.77 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.22 121.11 2.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.913 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.82 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.83 135.4 30.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -22.06 32.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.753 2.302 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.644 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 2.9 t80 -71.64 133.03 84.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.82 -53.75 0.25 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.34 38.69 2.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.9 t -130.11 -62.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.38 21.96 68.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.584 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 27.3 tptt -87.41 150.46 23.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.708 0.29 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.9 mt -142.1 147.42 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.584 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -130.92 148.95 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.52 -13.52 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -114.34 149.64 35.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 t -73.66 -50.36 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 110' ' ' ILE . 14.4 tt0 -58.41 -35.62 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.28 -28.18 69.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.855 HD21 ' O ' ' A' ' 92' ' ' PRO . 4.5 tp -85.49 -56.2 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.38 -24.74 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 106' ' ' GLU . 86.8 mt -85.06 -32.49 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 115' ' ' HIS . 8.2 t60 -80.24 -19.26 47.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -74.83 -26.96 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -86.44 -35.04 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.565 ' O ' ' C ' ' A' ' 115' ' ' HIS . 1.4 t -99.25 -18.35 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.644 ' CE1' ' CG ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER 21.34 54.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 13.9 m -92.06 158.21 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . 82.14 -54.25 4.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.61 131.52 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -121.63 147.59 48.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -41.16 4.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -116.58 113.66 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -120.08 136.56 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.8 t -42.55 118.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.21 -4.71 37.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.675 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.98 139.49 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -73.67 155.77 38.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.15 13.85 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.57 138.79 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.82 106.54 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 141' ' ' HIS . 56.0 mmm-85 -145.73 174.47 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 142.9 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -143.21 160.21 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -111.1 -20.19 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -129.17 150.94 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.4 p -52.01 -48.95 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 p -55.91 -55.55 31.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.423 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 7.2 m-20 -45.15 -28.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -83.07 -53.28 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -66.88 -15.01 63.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -78.96 -20.85 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.611 ' CE1' ' NH1' ' A' ' 130' ' ' ARG . 37.8 t60 -88.11 -0.12 56.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.71 -23.1 25.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -52.93 -20.45 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.24 -16.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.675 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 -77.74 -7.82 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -42.79 -24.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.9 m -109.88 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -125.49 144.35 50.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -112.9 113.21 25.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.8 t -42.07 141.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -162.83 -89.37 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -169.2 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.0 t -134.64 147.02 50.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -96.31 100.14 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.446 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -149.6 149.28 30.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -125.56 162.11 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.7 -176.43 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.16 111.24 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -124.36 121.6 35.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.98 172.04 37.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 9.6 tt0 -101.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.79 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.94 132.11 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -95.32 106.18 18.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.772 ' NE2' HD21 ' A' ' 14' ' ' LEU . 3.7 pm0 -91.96 144.74 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.71 145.17 26.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.907 ' O ' HG22 ' A' ' 34' ' ' THR . 9.6 mt -109.62 168.06 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 m -140.2 128.12 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.625 ' SG ' HG22 ' A' ' 45' ' ' VAL . 2.3 t -122.97 98.43 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -93.77 98.09 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.644 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 8.1 t-105 -107.97 122.65 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 4.1 mt -124.13 99.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLN . 42.5 t0 -83.28 114.92 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -39.28 -31.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.93 40.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -44.83 169.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -101.18 -14.21 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.418 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.4 175.21 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -150.62 134.94 9.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.1 Cg_endo -69.79 -166.55 3.32 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 22.6 mttp -70.38 132.98 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -133.58 162.76 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -88.88 142.45 27.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -41.72 -26.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 55.55 52.78 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 34' ' ' THR . 6.9 tpm_? -111.43 151.0 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.907 HG22 ' O ' ' A' ' 14' ' ' LEU . 7.0 p -149.03 161.8 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 62.9 m-85 -152.15 171.03 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.5 p -95.23 -39.43 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.484 ' O ' HD11 ' A' ' 14' ' ' LEU . 1.3 p -111.45 157.24 20.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.3 tpp -58.89 -55.77 30.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -42.74 -39.0 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 30.6 mt-10 -63.38 -42.85 98.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 86' ' ' THR . 13.2 tp -68.45 -49.04 62.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.52 -54.34 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.8 m -52.3 -29.31 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 45.5 t60 -81.5 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.625 HG22 ' SG ' ' A' ' 16' ' ' CYS . 22.0 t -54.58 -21.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.02 -56.73 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.5 mtt -87.84 -49.79 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 10.1 mm-40 -70.82 4.13 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.644 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.4 -74.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 82' ' ' ILE . 54.3 t -69.18 -3.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.34 -160.19 49.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.32 -164.93 22.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.461 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' GLN . 52.1 mt-10 -83.45 -54.01 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' GLU . 11.5 mm-40 -38.0 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -84.6 -68.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -91.18 121.27 32.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.698 ' HB3' HD23 ' A' ' 78' ' ' LEU . 22.9 m80 -108.4 106.25 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.7 t -141.58 118.09 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -88.59 118.25 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -97.4 97.03 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.35 145.77 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 3.9 tm-20 -48.53 -18.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -156.0 34.37 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 1.1 t -55.43 136.12 69.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.7 0.762 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 53.8 Cg_endo -69.75 -34.46 14.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.379 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.816 HH22 HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -67.4 -4.99 12.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 39.43 44.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.3 75.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.4 ttpt -85.99 80.54 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' LYS . 74.9 m -34.58 133.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.604 ' CE2' ' NH2' ' A' ' 67' ' ' ARG . 52.9 m-85 -98.08 149.53 22.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 38.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -170.15 113.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HE3' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -51.65 -30.49 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 3.6 p90 -73.96 -33.99 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.694 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 11.0 mmmm -64.02 -39.39 94.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -73.28 -40.36 64.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.4 t -61.18 -56.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.25 -35.8 67.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -57.0 -43.21 81.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 50' ' ' VAL . 2.8 mt -56.24 -18.04 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 4.8 mmt85 -69.69 -27.48 65.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.1 m -78.4 -22.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.793 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -69.17 -8.39 45.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.702 HG22 HD21 ' A' ' 41' ' ' LEU . 20.6 p -101.94 -61.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.48 55.32 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' OE2' HD22 ' A' ' 14' ' ' LEU . 11.6 tt0 -75.68 114.98 14.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' HE2' ' C ' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -103.46 160.54 25.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.537 0.684 . . . . 0.0 110.906 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -52.29 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.64 131.61 5.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.89 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 43.4 t -90.77 136.71 27.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.669 0.747 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.476 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.92 2.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.8 t80 -99.56 134.36 21.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.5 Cg_endo -69.71 -54.07 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.44 45.02 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 22.8 t -134.52 -48.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.96 22.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 tptm -95.81 153.62 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.89 HG23 ' HA ' ' A' ' 92' ' ' PRO . 6.1 mt -144.22 158.27 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -141.63 132.17 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.24 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -110.11 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -55.72 -60.15 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 107' ' ' ASN . 18.8 pt-20 -48.54 -41.07 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 2.5 m120 -55.44 -35.45 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -76.73 -42.25 41.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -64.02 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.49 -32.11 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.659 ' HA ' HG22 ' A' ' 114' ' ' THR . 28.0 t60 -75.9 -46.65 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.2 mtpm? -55.21 -33.29 62.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -81.62 -23.28 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 111' ' ' HIS . 1.3 t -101.51 -4.76 26.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' HIS . 0.4 OUTLIER -132.28 -47.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.0 OUTLIER -87.66 156.33 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . 110.35 -40.43 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -88.97 158.08 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.63 ' HZ3' ' N ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -88.96 125.01 63.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.1 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.3 148.99 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.63 ' N ' ' HZ3' ' A' ' 119' ' ' LYS . 0.5 OUTLIER -123.06 138.06 54.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.89 110.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.407 ' CG ' ' HD2' ' A' ' 138' ' ' ARG . 13.8 mt-10 -48.8 -19.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.79 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -73.95 112.65 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 154.94 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.2 3.22 23.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.4 t -102.18 152.92 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.466 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 12.0 t70 -123.76 106.01 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.466 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 17.8 mmt180 -154.19 -173.91 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -153.04 128.49 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 63.0 m-85 -130.0 146.43 51.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -101.16 -13.27 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -140.1 150.05 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 28.2 p -62.18 -33.79 75.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.6 t -60.54 -54.85 40.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.41 -46.27 83.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.438 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 6.6 ttp180 -54.75 -41.2 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -76.51 -14.96 59.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 17.9 mttm -81.67 -25.0 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 34.9 t60 -82.61 -0.33 46.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -87.75 -20.17 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER -57.6 -20.24 31.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.401 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.74 -19.22 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.79 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 -71.05 -38.38 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -94.64 -61.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.8 t -92.36 178.06 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.05 -22.74 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -63.78 120.13 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 45.3 m -89.88 134.22 34.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.23 65.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -105.3 -73.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.1 t -128.89 164.32 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.459 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.755 0.312 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -99.11 140.38 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mt -117.98 167.83 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 t -156.51 130.17 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.38 96.67 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -76.96 98.55 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 12.8 t-105 -107.35 112.81 25.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.487 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 2.7 mt -109.98 99.0 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.84 124.08 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.07 -27.94 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.53 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' NE2' ' HD2' ' A' ' 28' ' ' LYS . 9.7 pt20 -63.05 130.97 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.09 7.1 46.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.434 ' C ' ' HD3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.03 126.54 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -122.52 157.22 59.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.77 150.65 90.51 Favored 'Cis proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.354 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HE2' ' CG2' ' A' ' 19' ' ' ILE . 4.3 mmmm -32.92 125.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.91 157.82 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.05 163.48 15.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -70.86 107.34 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -85.58 110.31 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -172.55 167.51 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.575 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 7.7 p -148.56 167.5 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -146.44 157.5 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -94.43 -21.32 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.4 p -133.77 163.81 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 tpp -69.09 -54.32 15.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -43.42 -49.72 7.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.23 -37.12 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 45' ' ' VAL . 8.6 tp -73.64 -25.47 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.46 -58.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.1 m -51.32 -30.48 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.9 t60 -81.9 -62.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.761 ' CG1' HG21 ' A' ' 82' ' ' ILE . 71.2 t -54.21 -21.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.9 m -93.09 -56.62 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.1 mmm -87.98 -49.98 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 6.3 mm-40 -70.26 2.93 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.41 -71.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 82' ' ' ILE . 2.3 t -70.48 -11.34 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 82.18 178.1 52.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.25 -170.95 41.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.24 3.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.59 -33.13 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -71.81 130.59 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -78.13 -74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -80.79 99.99 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 1.1 p-80 -105.62 126.56 52.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.58 129.08 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -97.19 118.29 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -103.97 97.19 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.601 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.49 145.82 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -44.21 -21.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 62' ' ' TRP . 3.7 pt-20 -159.31 32.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.502 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.67 134.24 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.81 36.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -88.38 -23.68 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 74.95 24.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 60.94 2.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -109.45 150.36 28.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -90.19 156.1 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 77.5 m-85 -109.83 -177.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -108.73 18.86 20.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 76' ' ' TYR . . . -175.52 157.12 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -66.65 -51.59 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 34.8 p90 -55.04 -26.98 41.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 76' ' ' TYR . 14.8 mmtp -66.7 -40.94 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 9.8 tp -76.03 -50.81 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.35 -35.26 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 1.3 t30 -73.1 -29.7 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.7 t60 -65.08 -53.99 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.761 HG21 ' CG1' ' A' ' 45' ' ' VAL . 2.2 mt -49.38 -18.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 42.4 mmm-85 -55.7 -26.95 47.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 81' ' ' HIS . 6.6 m -82.63 -20.31 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.601 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.42 -11.89 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.677 0.751 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.964 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.2 t -98.2 135.88 21.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' HB1' ' A' ' 133' ' ' ALA . 54.1 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -100.4 132.11 22.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.76 -53.81 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.48 38.6 2.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.2 t -132.73 -42.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.98 21.78 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 12.6 tptm -85.81 152.02 23.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.964 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.2 mt -140.09 144.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -128.32 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.26 1.74 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -123.84 145.93 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.9 t -74.87 -37.72 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.31 -31.83 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.27 -46.51 76.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 92' ' ' PRO . 11.6 tp -66.73 -49.95 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -58.97 -38.65 79.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 86.9 mt -78.11 -28.66 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.513 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 8.8 t60 -81.93 -22.23 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.7 mtpm? -73.01 -26.96 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.8 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.927 0.394 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -106.6 132.19 52.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 47.9 t -38.41 126.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.63 -11.85 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.3 t80 -71.76 119.24 15.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.73 148.03 52.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.26 9.19 63.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 7.6 t -108.24 147.29 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -120.13 105.96 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -151.02 -177.79 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -157.21 136.42 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -147.44 160.59 42.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 94' ' ' PRO . . . -116.26 -16.42 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -128.09 128.99 45.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 t -48.2 -20.77 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 66.8 m -66.98 -53.76 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -54.05 -53.34 54.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -52.05 -57.14 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -56.09 -22.7 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 16.1 mtpp -84.18 -21.46 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.4 t60 -84.69 -1.57 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.69 -23.17 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER -54.92 -20.13 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.4 -12.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.638 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.8 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' NE2' HD21 ' A' ' 14' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.33 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -90.85 145.02 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 38' ' ' MET . 8.0 mt -120.21 166.58 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p -138.36 128.12 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 t -113.81 95.11 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -89.76 98.97 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.744 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 12.3 t-105 -107.25 116.31 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 63' ' ' GLU . 2.7 mt -112.87 105.37 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 123.08 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -25.66 67.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.11 33.73 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 16.9 pt20 -76.14 129.65 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.59 6.72 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 t -111.59 153.49 26.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 7.1 mmm-85 -150.9 148.44 23.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.8 169.7 62.24 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 0.1 OUTLIER -46.71 108.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 152.72 22.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -102.02 146.49 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.99 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -77.9 110.85 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -169.02 166.52 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.434 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 17.3 p -145.72 169.8 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' THR . 10.2 m-85 -149.84 167.93 25.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.401 ' OG ' HG23 ' A' ' 37' ' ' THR . 52.4 p -99.68 -41.16 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.401 HG23 ' OG ' ' A' ' 36' ' ' SER . 5.2 p -120.17 164.03 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.54 ' HA ' HD11 ' A' ' 14' ' ' LEU . 21.9 tpp -63.99 -48.55 76.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -51.9 -38.63 56.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -62.7 -35.91 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.21 -57.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.8 m -50.35 -27.62 6.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.1 t60 -83.03 -62.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG12 HD13 ' A' ' 82' ' ' ILE . 37.4 t -54.2 -21.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.5 m -93.08 -56.26 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.6 mtt -88.15 -49.85 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 43.8 mm-40 -70.65 3.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.47 -73.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.5 t -69.93 -2.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.11 -153.77 47.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.2 -161.07 13.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.53 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.01 -13.2 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 55' ' ' GLN . 4.5 mm100 -73.42 141.89 46.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.28 -76.69 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -87.4 112.13 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.757 ' HB3' HD23 ' A' ' 78' ' ' LEU . 25.4 m80 -99.78 105.78 17.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 69' ' ' GLY . 37.0 t -136.46 138.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.73 114.88 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.21 97.14 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.74 145.55 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 19' ' ' ILE . 25.1 tt0 -45.39 -20.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 62' ' ' TRP . 18.4 pm0 -158.74 33.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.3 t -47.01 134.09 8.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.06 35.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.25 -24.73 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 70.49 28.45 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 59' ' ' VAL . . . 97.21 -27.6 17.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.28 104.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p -70.03 -176.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.481 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 4.4 m-85 -118.16 -177.49 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.03 20.15 18.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.741 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -167.16 163.95 15.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -70.96 -53.85 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.506 ' CE1' ' CB ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -55.07 -27.97 48.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.741 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -63.13 -40.51 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 58' ' ' HIS . 12.0 tp -80.28 -44.61 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.11 -39.4 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -73.47 -23.09 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.33 -51.72 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.72 HD13 HG12 ' A' ' 45' ' ' VAL . 2.9 mt -50.03 -19.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.502 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 1.1 mmp_? -57.19 -21.76 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.91 -12.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.573 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 7.2 m-70 -89.31 -15.66 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.438 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 54.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.931 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.7 t -92.7 136.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.76 3.48 2.75 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.0 t80 -96.02 133.23 25.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.76 -53.83 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.608 2.206 . . . . 0.0 112.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.79 43.98 3.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.8 t -134.61 -58.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.42 27.65 68.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 20.5 tptt -95.04 152.32 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.931 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.1 mt -140.13 143.1 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -127.89 129.25 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.59 -3.02 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -123.19 131.26 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -59.09 -47.91 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -55.21 -36.26 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -66.12 -37.5 85.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.49 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.4 tp -70.65 -51.56 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 41.9 pttt -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 53.6 mt -67.06 -28.81 44.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.483 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 40.5 t60 -81.49 -24.22 36.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.418 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 5.5 mtpm? -78.02 -35.97 49.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.5 ptp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -122.63 138.0 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -47.67 127.16 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.84 -11.06 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.03 122.69 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 127' ' ' GLY . 37.4 tt0 -62.57 158.55 17.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 126' ' ' GLU . . . 57.33 15.36 15.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.04 141.57 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -123.02 107.33 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -145.31 175.0 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -149.68 118.85 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 68.5 m-85 -123.74 154.36 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.48 -16.47 16.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.545 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -132.98 142.39 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -55.09 -36.19 65.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.3 m -55.83 -55.3 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.06 -52.68 40.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 9.5 ttp180 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -60.38 -38.17 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -62.9 -19.53 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.6 t60 -86.78 -0.64 56.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.89 -21.81 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -54.82 -20.87 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.597 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.56 116.62 32.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.686 ' O ' HG22 ' A' ' 34' ' ' THR . 5.3 mt -106.32 167.94 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.9 m -143.6 144.33 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 102.06 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -92.63 99.0 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.55 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.01 108.54 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.43 HG22 ' NZ ' ' A' ' 28' ' ' LYS . 6.1 mt -110.96 103.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.45 -72.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 41.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 5.0 pt20 -59.87 156.61 13.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 24' ' ' LEU . 7.0 tp -83.76 -5.29 59.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -103.82 154.32 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.9 tpt180 -152.98 140.11 12.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.74 172.39 49.14 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.377 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' NZ ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -47.16 108.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 165.31 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.8 p -112.75 148.58 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 138.96 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -104.76 122.31 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.91 165.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -145.83 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 34' ' ' THR . 1.1 m-85 -152.81 164.2 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.0 p -96.82 -31.38 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 p -125.28 158.51 33.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.48 ' SD ' HG21 ' A' ' 86' ' ' THR . 22.9 tpp -58.49 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -47.61 -40.12 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.52 -39.6 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 11.8 tp -71.66 -47.93 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -56.66 -54.22 31.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.0 m -47.95 -28.3 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.4 t60 -82.89 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.595 HG12 HD13 ' A' ' 82' ' ' ILE . 20.7 t -54.19 -21.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.4 m -92.92 -56.46 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.7 mtt -87.9 -49.91 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 35.8 mm-40 -70.68 3.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.55 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.9 m-70 -142.88 -73.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.9 t -69.97 -2.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.36 -165.27 46.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.3 -166.63 27.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -3.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -80.4 -20.94 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -75.63 155.02 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -67.99 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -82.38 109.36 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.836 ' HB3' HD23 ' A' ' 78' ' ' LEU . 31.8 m80 -102.34 110.44 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.73 134.31 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.504 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 117.38 32.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -102.45 97.21 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 4.9 t-105 -90.73 145.22 24.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 19' ' ' ILE . 5.4 tm-20 -43.14 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -158.79 33.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.49 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.2 134.06 4.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -87.23 -18.02 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 69.64 31.81 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.13 58.27 9.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -103.86 115.03 29.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -47.05 170.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.26 179.59 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -82.89 -22.58 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.956 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -144.84 172.5 12.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.059 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 1.5 tmtm? -70.72 -48.88 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 48.3 p90 -62.52 -24.09 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.956 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 12.4 mmmm -60.34 -40.41 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.836 HD23 ' HB3' ' A' ' 58' ' ' HIS . 6.2 tp -78.14 -41.92 33.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.0 t -51.7 -37.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 95.0 m-20 -70.65 -36.63 73.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.8 t60 -58.93 -47.36 85.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.595 HD13 HG12 ' A' ' 45' ' ' VAL . 3.2 mt -55.06 -17.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 14.1 mmm180 -67.74 -23.04 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 81' ' ' HIS . 2.8 m -83.3 -20.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.49 -9.66 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.48 HG21 ' SD ' ' A' ' 38' ' ' MET . 2.3 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.887 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.83 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.8 135.82 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -99.15 132.46 23.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.3 Cg_endo -69.79 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.36 39.91 2.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.2 t -133.76 -44.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.27 29.28 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -93.32 151.33 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.887 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.0 mt -141.15 142.28 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -127.64 136.36 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 -14.96 61.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -109.98 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -61.9 -48.98 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -57.19 -28.93 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -55.3 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.581 HD23 ' CD1' ' A' ' 91' ' ' PHE . 15.6 tp -56.9 -56.08 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.541 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 7.9 ptmt -48.52 -50.27 32.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.541 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 82.0 mt -63.01 -31.85 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.461 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 9.6 t60 -81.96 -19.94 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.479 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 11.6 mtpt -75.6 -30.03 59.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 10.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 62.0 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.9 136.5 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.77 114.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.26 -14.07 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.2 t80 -71.25 119.9 16.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.46 150.94 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.56 9.2 58.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.51 150.49 28.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.19 106.92 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.467 ' NE ' ' CE1' ' A' ' 141' ' ' HIS . 26.0 mmt180 -142.53 -178.69 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -164.3 118.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 130' ' ' ARG . 7.9 m-85 -138.06 155.52 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -104.91 -10.52 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.509 HD22 ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -134.94 138.62 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 1.3 t -54.59 -47.32 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.9 m -44.56 -39.44 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.49 -45.28 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -57.83 -48.78 78.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -65.41 -20.02 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.22 -20.54 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.0 t60 -86.74 -0.44 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 mmt -88.01 -22.35 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -54.82 -20.02 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.87 -15.29 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.784 0.325 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -84.59 127.85 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 37' ' ' THR . 56.2 mt -92.01 159.8 15.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.4 p -128.51 127.33 42.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 45' ' ' VAL . 7.4 t -123.97 103.32 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.34 98.74 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 6.8 t-105 -107.15 125.64 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 63' ' ' GLU . 3.6 mt -124.11 110.02 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.76 139.13 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 8.8 mt-10 -76.83 -30.03 56.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.55 27.02 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG2' ' HZ2' ' A' ' 28' ' ' LYS . 13.1 pt20 -79.88 135.66 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.9 2.98 40.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 124.65 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -134.48 148.08 66.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 141.66 66.65 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.329 -0.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' PRO . 27.8 mttm -33.36 114.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.9 -178.01 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -115.44 142.74 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.47 176.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.36 115.67 12.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' THR . 7.7 tpm_? -173.36 153.21 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t -155.99 161.02 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 40' ' ' GLU . 37.2 m-85 -153.01 170.83 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -85.87 -40.6 15.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' HD11 ' A' ' 14' ' ' LEU . 7.6 p -115.19 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.551 ' SD ' HD23 ' A' ' 41' ' ' LEU . 23.2 tpp -64.26 -55.28 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -42.08 -34.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 35.3 mm-40 -67.53 -42.53 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 ' SD ' ' A' ' 38' ' ' MET . 9.8 tp -67.54 -44.29 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -51.47 -50.93 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.6 m -51.42 -28.27 12.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.1 t60 -82.98 -62.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.704 HG11 ' CG2' ' A' ' 82' ' ' ILE . 19.3 t -54.06 -21.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -92.98 -56.5 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -88.03 -49.72 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 57.9 mm-40 -70.74 3.62 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.698 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.5 m-70 -142.99 -74.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 50' ' ' VAL . 53.2 t -69.07 -2.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.1 -152.86 48.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.34 -166.72 22.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -12.13 32.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.9 tp10 -90.86 -4.16 56.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' ASN . 1.9 tt0 -66.93 111.77 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 p-10 -35.65 -77.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.417 HD22 HG23 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -107.8 131.14 54.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.56 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -108.38 106.38 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG23 HD22 ' A' ' 57' ' ' ASN . 49.7 t -139.29 127.26 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -94.97 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 44.1 m-85 -101.58 96.99 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.771 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.95 145.02 25.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 19' ' ' ILE . 1.4 tm-20 -43.24 -25.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' OE1' ' CD ' ' A' ' 63' ' ' GLU . 13.9 pm0 -154.5 31.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.498 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -42.82 134.13 2.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -23.16 31.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.611 2.207 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.1 mtp85 -87.07 -18.96 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 71.16 32.49 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.1 53.41 33.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 107.42 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -50.43 148.65 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 8.1 m-85 -101.35 -179.63 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -98.16 20.23 12.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.775 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -174.01 178.14 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' CD ' ' ND1' ' A' ' 58' ' ' HIS . 2.2 mmmp? -86.75 -47.09 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 77' ' ' LYS . 23.4 p90 -64.32 -24.23 67.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.775 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 14.1 mmmm -67.73 -40.3 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 13.3 tp -82.9 -49.89 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' LYS . 73.1 t -48.76 -37.73 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -69.87 -36.55 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.8 t60 -59.29 -43.53 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.704 ' CG2' HG11 ' A' ' 45' ' ' VAL . 3.0 mt -54.03 -23.96 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -64.53 -25.01 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 81' ' ' HIS . 2.5 m -77.23 -21.98 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.771 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.74 -20.39 60.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.894 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.71 -165.7 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.5 t -92.95 136.01 25.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.49 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.27 2.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.1 t80 -103.25 127.0 30.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.75 -52.93 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.36 -3.16 11.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 14.7 t -99.48 -54.39 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.97 28.46 53.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -95.4 148.95 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.894 HG23 ' HA ' ' A' ' 92' ' ' PRO . 1.7 mt -131.94 139.41 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 2.8 m-85 -124.53 149.6 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.43 -14.09 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -110.01 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -62.87 -43.11 99.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HG2' HD12 ' A' ' 110' ' ' ILE . 28.7 tt0 -64.52 -25.0 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.68 -46.46 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.7 HD11 ' HD2' ' A' ' 112' ' ' LYS . 7.1 tp -60.0 -53.32 59.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 13.6 ptmt -53.84 -50.08 67.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 65.0 mt -64.65 -27.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.578 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 22.0 t60 -81.87 -22.37 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.7 ' HD2' HD11 ' A' ' 108' ' ' LEU . 16.9 mtpt -84.35 -32.35 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.437 ' CB ' ' HB2' ' A' ' 132' ' ' PHE . 90.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 137.04 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.3 t -51.27 114.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.29 -3.89 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.778 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -75.04 120.62 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -63.95 150.87 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.48 15.78 57.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.48 137.5 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 1.9 p30 -116.15 105.99 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 12.2 mmt180 -153.44 -175.17 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -156.89 151.73 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 28.2 m-85 -150.11 163.99 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' C ' ' CD2' ' A' ' 121' ' ' PHE . . . -117.13 -15.61 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.43 129.42 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -41.9 -35.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -55.73 -46.59 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.47 -46.05 77.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 10.9 ttp85 -60.1 -32.24 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.39 -22.19 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 37.7 mtpt -80.33 -20.99 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 52.4 t60 -85.02 -2.71 58.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.1 mmt -87.94 -21.32 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.94 -20.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.79 -16.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.778 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 21.6 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.769 0.318 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -85.16 133.18 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 41' ' ' LEU . 13.3 mt -105.47 167.23 9.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -153.31 141.97 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -128.38 95.9 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 98.81 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 13.0 t-105 -107.17 123.53 48.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -123.86 101.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.69 136.38 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.38 -28.21 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.84 22.3 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.418 ' CD ' ' HD2' ' A' ' 28' ' ' LYS . 6.7 pt20 -81.6 136.03 35.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -89.98 -2.38 58.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 130.64 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 6.0 tpt180 -136.46 133.02 19.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.72 166.35 74.17 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.334 -0.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HD2' ' CD ' ' A' ' 23' ' ' GLN . 3.2 mmmm -50.88 134.58 25.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -112.43 163.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.46 147.24 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -53.06 111.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -90.4 97.29 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -149.92 162.86 39.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -146.75 151.0 36.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -145.78 167.7 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -111.0 -28.28 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -118.36 146.7 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.489 ' SD ' HD23 ' A' ' 41' ' ' LEU . 14.9 tpp -63.08 -40.34 97.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -48.32 -40.53 25.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 14' ' ' LEU . 24.8 tp -58.34 -25.65 62.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.09 -59.1 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.47 -28.94 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -82.44 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.772 ' CG1' HG21 ' A' ' 82' ' ' ILE . 85.3 t -54.1 -21.61 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.0 m -93.13 -56.38 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.4 mtt -88.2 -49.81 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.7 mm-40 -70.44 3.12 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.505 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.67 -71.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 82' ' ' ILE . 2.5 t -70.51 -11.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 59.04 158.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.57 -167.68 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.53 28.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.01 -26.68 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASN . 25.3 mt-30 -79.95 93.48 5.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLN . 20.4 m-80 -35.85 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -84.1 96.44 8.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.523 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -95.2 115.02 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 t -138.0 131.88 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -93.92 119.8 33.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -104.53 97.38 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.631 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.9 t-105 -90.84 145.87 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -47.34 -19.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -157.81 32.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.496 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.3 t -47.22 134.34 9.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.48 34.55 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 12.6 mmp_? -85.82 -18.17 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 5.8 mt-10 66.85 38.74 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.87 47.47 91.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -100.4 99.89 10.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -35.46 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 46.8 m-85 -95.67 170.42 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -26.51 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -142.13 172.71 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 3.8 tmtt? -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.478 ' CD1' ' HG2' ' A' ' 77' ' ' LYS . 5.6 p90 -60.39 -28.74 68.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.536 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 19.8 mmmt -66.42 -40.4 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 58' ' ' HIS . 11.0 tp -66.56 -37.98 86.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.64 -44.86 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -64.5 -24.33 67.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.581 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 t60 -68.83 -50.39 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.772 HG21 ' CG1' ' A' ' 45' ' ' VAL . 2.5 mt -52.37 -20.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -59.73 -22.76 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.6 m -86.11 -19.1 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.631 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.5 m-70 -74.86 -12.75 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.908 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.6 Cg_endo -69.73 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.9 t -94.46 135.97 23.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.23 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -97.78 132.21 25.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 52.8 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.42 45.08 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 20.7 t -134.36 -46.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.38 28.4 20.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 24.3 tptt -96.44 151.54 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.908 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.4 mt -140.15 139.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -124.71 160.02 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.22 -12.77 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -110.11 134.72 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.676 ' O ' HD12 ' A' ' 110' ' ' ILE . 61.3 mm-40 -62.96 -29.03 70.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.0 -54.35 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.2 tp -57.57 -47.84 80.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 1.7 ptmm? -62.27 -46.92 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 106' ' ' GLU . 47.9 mt -69.71 -27.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.547 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.2 t60 -82.04 -26.05 34.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -74.6 -28.02 60.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 7.7 ptp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.493 ' CE1' ' OG ' ' A' ' 135' ' ' SER . 97.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 123' ' ' CYS . 13.9 ttmm -122.94 128.79 50.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 122' ' ' LYS . 17.8 t -36.84 124.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.54 -4.93 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.416 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -74.39 122.74 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.93 137.26 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.1 79.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -120.93 142.16 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -122.48 109.16 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -145.39 -176.54 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -153.99 121.52 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -128.19 157.5 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.92 -21.29 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.79 130.31 37.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 121' ' ' PHE . 3.4 m -43.83 -41.85 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -47.98 -55.37 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.7 -52.16 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -45.16 -43.48 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -38.52 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 0.5 OUTLIER -65.35 -19.2 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 42.0 t60 -84.82 -2.26 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.93 -21.77 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.88 -20.4 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -12.29 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.8 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.94 123.45 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mt -97.07 163.97 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 m -146.87 131.07 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.529 ' HB2' HD11 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -116.64 116.93 28.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -99.46 98.63 9.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.5 t-105 -107.32 125.9 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -124.02 102.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 51.0 t0 -85.73 114.85 23.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.25 -27.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -109.16 42.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -50.58 175.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -108.36 -17.65 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -130.71 156.78 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -132.64 156.59 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.356 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 27' ' ' PRO . 29.8 mtpt -33.96 107.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.86 157.73 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -84.2 150.74 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.0 137.24 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.06 102.56 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.5 ttt85 -170.46 161.82 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.533 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -149.48 166.77 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 34' ' ' THR . 44.5 m-85 -151.94 170.74 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 p -117.15 -26.34 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -112.21 161.17 16.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 6.8 tpt -65.29 -55.82 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -48.67 -36.75 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -58.32 -41.98 85.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' CD2' HG22 ' A' ' 86' ' ' THR . 57.5 tp -70.15 -57.15 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.74 -55.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.488 HG23 ' SD ' ' A' ' 47' ' ' MET . 1.2 m -54.39 -25.75 26.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.7 t60 -83.27 -62.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.725 HG11 ' CG2' ' A' ' 82' ' ' ILE . 31.3 t -54.48 -21.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLY . 21.6 m -93.4 -54.04 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 43' ' ' THR . 4.5 mtt -88.28 -51.28 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 mt-10 -70.81 4.29 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -142.31 -74.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 50' ' ' VAL . 63.3 t -69.05 -4.18 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 71.58 -163.87 54.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.38 -169.3 30.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -80.1 -28.63 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -64.69 150.57 46.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.3 t-20 -94.02 -74.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -80.48 119.55 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 1.7 m80 -109.44 112.62 24.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 t -136.9 128.31 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.581 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -103.86 116.12 31.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -101.33 97.36 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.7 t-105 -90.68 145.54 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 83.8 tt0 -46.73 -19.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' HG3' ' C ' ' A' ' 63' ' ' GLU . 55.4 mt-10 -158.07 33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.482 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 2.9 t -49.06 134.79 15.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -24.75 29.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.456 ' NE ' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 9.4 mt-10 76.42 32.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.82 38.53 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -99.55 98.75 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 p -48.69 157.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -102.49 -175.65 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -109.46 17.34 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -178.21 160.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.57 -52.03 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.6 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 54.3 p90 -54.84 -32.68 60.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.767 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.9 mmmm -62.28 -40.39 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' CD2' ' CB ' ' A' ' 58' ' ' HIS . 11.3 tp -77.43 -50.8 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.0 t -50.07 -38.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 53.6 m-20 -72.69 -33.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 t60 -59.49 -44.3 93.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.725 ' CG2' HG11 ' A' ' 45' ' ' VAL . 2.2 mt -55.13 -20.55 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 20.6 mmm180 -59.66 -35.0 73.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.4 m -71.75 -22.12 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -74.83 -22.41 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 41' ' ' LEU . 67.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.711 ' HD1' HD23 ' A' ' 108' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.642 0.734 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.707 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.7 Cg_endo -69.72 -165.42 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -93.69 134.97 25.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HG3' ' NZ ' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 -16.5 37.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.05 125.89 91.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 128.06 15.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 84.87 -5.99 80.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 34.5 t -79.9 -32.44 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.4 29.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG3' ' CZ ' ' A' ' 102' ' ' PHE . 9.5 tptm -97.57 138.63 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' A' ' 92' ' ' PRO . 7.3 mt -133.37 156.6 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 100' ' ' LYS . 1.5 m-85 -140.5 131.63 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -15.72 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -110.05 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -56.41 -52.34 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.52 -44.95 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -46.86 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.711 HD23 ' HD1' ' A' ' 91' ' ' PHE . 1.2 tp -66.34 -51.42 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -54.53 -50.15 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.54 -39.6 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.3 t60 -74.88 -20.52 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.4 mtpp -82.24 -31.81 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 113' ' ' ARG . 3.5 ptm85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 84.9 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -119.53 129.47 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.7 t -39.04 118.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.53 -7.28 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.706 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.5 t80 -72.26 122.3 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.62 151.07 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.11 9.08 39.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.62 144.96 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -122.5 106.36 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 30.1 mmt180 -150.15 -175.62 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.2 139.92 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -146.12 148.78 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -98.04 -14.54 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.57 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -137.59 146.88 44.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.535 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 21.3 t -61.34 -26.11 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.2 t -66.0 -46.14 79.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.36 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -58.59 -53.27 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -57.4 -22.57 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -79.03 -21.24 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 46.0 t60 -86.76 -1.02 57.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.9 -20.51 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -56.09 -20.11 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.41 -15.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.706 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.4 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.729 0.3 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.33 134.83 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 37' ' ' THR . 7.1 mt -106.72 167.9 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -135.6 152.25 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 t -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -97.62 98.96 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.673 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 17.6 t-105 -107.26 124.92 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mt -124.0 101.04 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -78.28 135.47 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -72.91 -36.79 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.45 35.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -78.87 136.56 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.8 tt -81.57 0.12 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -98.9 132.47 44.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.556 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.4 tpp85 -139.84 140.43 24.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 164.02 80.31 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.325 -0.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -46.43 133.57 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.07 168.88 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 p -112.91 134.07 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -44.82 137.71 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -107.95 105.12 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -161.27 156.22 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 p -146.68 159.69 43.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -149.37 169.78 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -92.23 -47.15 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' HD11 ' A' ' 14' ' ' LEU . 1.3 p -113.26 163.06 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.6 ' SD ' HG21 ' A' ' 86' ' ' THR . 16.4 tpp -59.76 -53.86 53.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.98 -41.5 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.43 -46.61 89.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.02 -49.75 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.55 -53.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.1 m -50.84 -29.6 12.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.5 t60 -82.31 -62.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.509 HG11 ' CG2' ' A' ' 82' ' ' ILE . 17.7 t -53.8 -21.98 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.7 m -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.8 mm-40 -70.64 3.02 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -141.82 -73.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.766 HG21 HD11 ' A' ' 82' ' ' ILE . 54.4 t -69.69 -2.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.44 175.22 17.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.44 31.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.533 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.32 6.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -115.66 56.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -123.98 131.1 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -51.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -113.32 131.44 55.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.683 ' HB3' HD23 ' A' ' 78' ' ' LEU . 9.7 m80 -103.67 107.1 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.3 127.16 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -101.71 118.0 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -102.61 97.2 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.594 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.57 145.55 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -44.08 -21.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 62' ' ' TRP . 43.5 mt-10 -158.66 33.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.9 t -45.33 134.03 5.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.31 36.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -89.95 -11.88 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 65.0 40.67 5.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.91 60.4 9.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 128.82 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.7 p -58.01 177.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -126.39 179.27 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -77.67 -23.36 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.772 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -148.92 173.88 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HD3' ' CD2' ' A' ' 58' ' ' HIS . 9.9 tptp -69.55 -57.19 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' A' ' 77' ' ' LYS . 20.4 p90 -55.32 -17.41 4.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.772 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 1.1 mmmp? -72.15 -39.28 68.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.683 HD23 ' HB3' ' A' ' 58' ' ' HIS . 5.0 tp -78.52 -40.9 33.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.53 -46.53 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -60.9 -37.98 84.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.521 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.6 t60 -58.14 -48.89 78.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.766 HD11 HG21 ' A' ' 50' ' ' VAL . 3.9 mt -52.64 -25.55 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -63.25 -28.08 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 81' ' ' HIS . 1.4 m -76.22 -20.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.594 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.35 -9.29 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.6 HG21 ' SD ' ' A' ' 38' ' ' MET . 2.5 p . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.973 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.82 135.91 22.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.403 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.3 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -95.43 132.92 26.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.78 -53.91 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 41.97 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 17.4 t -134.66 -55.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 28.07 56.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.596 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 31.4 tptt -94.35 148.96 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.973 HG23 ' HA ' ' A' ' 92' ' ' PRO . 1.9 mt -134.54 146.29 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.596 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -130.52 125.77 35.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.82 -15.38 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 106' ' ' GLU . 5.0 ttt180 -109.93 131.07 55.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.0 p -55.05 -60.59 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 104' ' ' ARG . 10.2 mm-40 -47.87 -39.82 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 104' ' ' ARG . 76.6 m-20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.7 tp -75.1 -49.17 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -64.01 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.4 mt -76.5 -30.64 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 12.0 t60 -79.02 -54.79 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 16.8 mtpt -47.35 -30.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 86.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.922 0.391 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -109.45 137.85 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 51.7 t -40.63 118.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.33 -9.27 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.16 126.83 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -66.2 156.06 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.15 6.45 13.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.31 143.03 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.59 107.06 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -146.85 170.21 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 137.42 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' PHE . 20.4 m-85 -147.83 159.75 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -112.16 -21.27 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -129.47 134.12 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.7 t -48.98 -31.97 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.6 m -58.97 -40.5 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -72.95 -40.56 65.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -64.06 -45.16 89.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -22.0 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -77.78 -18.94 55.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -86.42 0.04 54.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.95 -20.53 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -56.23 -20.16 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.95 -12.47 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.665 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.52 127.81 34.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 11.3 mt -95.97 163.41 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -144.67 140.62 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 101.86 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 98.99 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 17.2 t-105 -107.16 123.96 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -123.91 100.28 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 23' ' ' GLN . 4.0 t0 -71.94 136.88 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 2.5 mt-10 -74.97 -33.38 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.25 39.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.473 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 10.6 pt20 -76.77 147.15 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -91.8 4.74 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.49 132.79 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 1.2 tmm_? -134.95 137.35 27.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 173.64 43.65 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 36.9 mmtt -54.9 118.36 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -105.56 161.01 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -109.06 145.73 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.55 120.9 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -92.03 100.45 13.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' A' ' 44' ' ' HIS . 11.0 mmp_? -143.14 164.25 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -153.54 148.26 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 68.0 m-85 -144.76 156.53 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -96.95 -24.12 15.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.3 p -123.23 156.24 35.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 22.7 tpp -61.37 -55.97 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -44.81 -44.0 9.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 8.0 mm-40 -54.92 -48.23 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 25.4 tp -61.81 -52.09 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -54.04 -52.89 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -27.75 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.4 t60 -83.07 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 82' ' ' ILE . 15.6 t -54.16 -21.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.6 m -92.98 -56.61 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -87.77 -49.84 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.535 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.9 mm-40 -70.76 3.88 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.748 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.3 m-70 -143.06 -73.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 50' ' ' VAL . 55.6 t -69.65 -2.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 63.92 -159.83 39.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.99 -162.47 24.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.21 34.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.61 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.89 149.51 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -94.66 -70.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -83.7 114.83 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.796 ' HB3' HD23 ' A' ' 78' ' ' LEU . 26.2 m80 -107.3 106.42 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.14 133.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.576 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.94 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.548 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 37.4 m-85 -100.9 97.34 7.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.709 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.48 145.46 24.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.32 -22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' TRP . 21.2 pt-20 -159.63 32.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.8 t -42.81 134.03 2.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -14.95 36.66 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 5.7 mmp_? -90.31 -33.85 15.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 74.02 40.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' SER . . . 87.14 -23.21 11.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLY . 4.8 tmtm? -38.05 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLY . 37.2 t -59.59 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.7 m-85 -136.04 13.87 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm 44.69 24.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.589 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -152.29 168.03 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -92.71 -58.69 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.646 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 39.5 p90 -59.95 -12.33 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.646 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.9 mmmt -83.87 -40.98 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 58' ' ' HIS . 10.0 tp -82.16 -39.98 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.07 -45.61 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -27.44 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.8 t60 -66.67 -48.07 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.678 HD13 HG12 ' A' ' 45' ' ' VAL . 2.5 mt -51.93 -23.08 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -57.07 -32.02 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.4 m -74.56 -23.75 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.709 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -70.86 -13.46 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.763 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.83 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.356 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.08 135.23 30.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -21.17 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.96 127.79 93.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.42 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.62 -5.16 85.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 37.3 t -80.06 -32.24 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 37.67 27.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 20.1 tptt -94.67 141.27 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.763 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.5 mt -134.94 152.56 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.2 m-85 -138.06 121.71 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.56 -11.59 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -110.09 131.09 55.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -63.29 -36.84 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.598 ' HG2' HD12 ' A' ' 110' ' ' ILE . 23.5 tt0 -71.3 -28.05 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.48 -39.96 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.99 -52.77 54.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 10.8 ptmt -59.33 -45.29 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.598 HD12 ' HG2' ' A' ' 106' ' ' GLU . 69.8 mt -66.98 -25.62 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 4.5 t60 -79.91 -55.84 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -44.95 -36.9 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 123' ' ' CYS . 24.2 ttpt -112.99 136.01 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' LYS . 41.3 t -35.36 111.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.29 -8.62 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.485 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -72.17 130.57 41.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.59 4.78 81.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.0 t -109.33 144.09 37.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -123.32 108.02 12.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -147.66 -179.39 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -147.43 133.9 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.03 160.26 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.36 -9.24 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.02 132.59 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 t -49.01 -32.04 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -60.47 -54.6 43.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.8 -42.39 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -62.29 -49.79 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.45 -23.04 66.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 5.8 mtpm? -78.58 -18.68 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.6 t60 -85.53 -2.28 57.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.75 -22.0 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.88 -20.92 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.6 -14.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.485 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.2 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -90.61 127.38 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -101.97 166.41 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -134.16 138.38 45.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.91 97.51 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -89.17 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.17 126.3 52.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.575 HD12 ' CD ' ' A' ' 63' ' ' GLU . 1.8 mt -123.57 103.79 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.85 128.82 34.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 5.4 mt-10 -65.69 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.46 26.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.59 129.56 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.01 -6.13 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -80.49 132.22 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 10.8 tpt85 -138.08 132.63 17.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 176.52 32.27 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.352 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.5 118.3 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -109.83 146.37 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 p -90.26 144.7 25.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 150.44 22.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.55 135.64 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -172.83 161.18 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.5 p -137.32 151.0 48.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -148.59 158.71 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -87.55 -38.47 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -124.76 164.35 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.561 ' SD ' HG21 ' A' ' 86' ' ' THR . 20.9 tpp -59.51 -54.43 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -55.63 -43.37 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 45' ' ' VAL . 10.8 tp -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.79 -51.81 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.4 m -50.04 -29.08 8.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.8 t60 -82.77 -62.79 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.632 ' CG1' HG21 ' A' ' 82' ' ' ILE . 17.0 t -53.9 -21.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 10.2 m -93.11 -56.87 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.6 mtt -86.94 -50.07 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 51.3 mm-40 -70.87 3.4 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.596 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.1 m-70 -142.03 -73.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.797 HG21 HD11 ' A' ' 82' ' ' ILE . 55.3 t -70.09 -2.7 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.63 -169.12 45.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.25 -162.27 34.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.46 30.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.01 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -41.66 121.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.57 -75.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.09 106.32 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.663 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -105.79 123.08 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.03 138.23 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.85 116.02 29.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 36.8 m-85 -102.08 97.09 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.748 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.45 145.46 24.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' CD ' HD12 ' A' ' 19' ' ' ILE . 6.1 tp10 -43.62 -21.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.6 mm-40 -159.55 34.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -45.65 133.87 6.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -20.02 35.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -89.8 -14.2 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 69.58 33.91 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.32 18.53 73.42 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -69.77 123.85 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.925 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -62.17 173.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.89 -175.62 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.81 -6.69 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -153.49 167.82 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 15.3 tppt? -70.32 -58.36 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -54.61 -22.68 14.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 mmpt? -66.61 -40.06 88.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 58' ' ' HIS . 8.3 tp -78.13 -46.37 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.88 -40.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.07 -31.34 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.465 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.9 t60 -64.34 -48.71 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.797 HD11 HG21 ' A' ' 50' ' ' VAL . 2.1 mt -55.56 -21.87 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 15.1 mmt85 -63.32 -22.1 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 81' ' ' HIS . 1.5 m -85.33 -20.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.748 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 3.3 m-70 -69.95 -12.31 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.561 HG21 ' SD ' ' A' ' 38' ' ' MET . 16.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.79 ' HD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.913 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.7 Cg_endo -69.75 -168.64 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.98 135.35 30.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.15 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.2 t80 -69.16 133.6 89.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.64 40.97 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -136.01 -52.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 50.15 28.47 13.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 7.5 tptm -91.78 151.28 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.0 mt -139.82 156.15 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -138.88 153.37 48.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 83' ' ' ARG . . . -83.81 -11.96 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -111.06 138.05 47.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -70.18 -36.33 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 3.7 tt0 -71.2 -24.16 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.61 -40.78 66.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.893 HD21 ' O ' ' A' ' 92' ' ' PRO . 3.4 tp -70.13 -52.18 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -54.5 -35.67 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 106' ' ' GLU . 96.7 mt -81.48 -28.81 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 7.4 t60 -81.86 -23.08 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.95 -29.02 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 94.3 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.858 0.361 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -113.05 137.67 51.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.97 118.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.47 -2.64 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.406 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.14 130.7 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.8 139.11 48.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 75.04 17.75 80.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.86 144.74 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.81 106.03 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -151.23 174.0 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 142.77 22.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -148.41 163.62 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -111.7 -21.92 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -126.67 132.56 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' A' ' 121' ' ' PHE . 1.1 t -43.98 -52.62 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -40.13 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -54.69 -47.25 73.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -67.41 -18.88 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -83.86 -18.46 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.7 t60 -86.69 0.28 54.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -88.03 -21.19 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -55.17 -21.16 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.28 -12.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.406 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.74 0.305 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.57 129.37 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.44 157.01 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -125.02 142.77 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 45' ' ' VAL . 1.3 t -129.24 100.24 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 2.8 mmmm -93.86 98.69 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.733 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.2 t-105 -107.04 123.2 47.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.842 HG23 HE22 ' A' ' 23' ' ' GLN . 3.8 mt -119.24 112.68 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 17.4 t70 -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.92 -28.63 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.39 24.44 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.842 HE22 HG23 ' A' ' 19' ' ' ILE . 1.9 pt20 -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.59 12.47 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.98 121.05 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.55 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.3 mmt-85 -123.95 148.33 56.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.84 147.37 84.67 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.337 0.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 23' ' ' GLN . 32.8 mttp -33.26 107.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.03 -177.97 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -113.55 148.92 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.32 160.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -118.1 117.88 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 20.5 tpt85 -173.84 154.56 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -140.76 156.44 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.45 154.41 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -96.71 -31.24 12.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -117.26 163.13 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.417 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 9.2 tpp -63.95 -56.05 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -43.98 -46.86 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.09 -44.16 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.674 ' CD2' HG22 ' A' ' 86' ' ' THR . 11.3 tp -62.57 -49.06 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.33 -52.71 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 m -50.11 -25.72 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.3 t60 -83.21 -62.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.649 HG11 ' CG2' ' A' ' 82' ' ' ILE . 20.9 t -54.27 -21.85 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.7 m -93.02 -56.18 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -88.18 -49.81 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 41.4 mm-40 -70.74 3.92 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.733 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.16 -74.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.637 HG21 HD11 ' A' ' 82' ' ' ILE . 54.2 t -69.24 -3.1 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.29 -161.78 50.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.491 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.21 -158.28 34.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -51.09 -24.34 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.97 103.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.43 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.57 98.77 8.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 108.66 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.625 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 14.0 t -135.83 141.27 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.53 113.73 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.625 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 5.0 m-85 -112.31 97.53 6.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.8 t-105 -91.0 146.47 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HG3' HD12 ' A' ' 19' ' ' ILE . 82.8 tt0 -37.7 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.6 pp20? -148.32 48.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.565 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 53.0 t -84.11 136.02 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -24.67 29.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.582 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 19.9 mmm180 -67.09 -34.15 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 53.38 21.95 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.589 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 114.48 -23.58 12.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -49.1 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -59.19 -175.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 55.4 m-85 -119.06 164.09 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.59 -11.06 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -150.16 171.89 16.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -53.72 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.558 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 30.8 p90 -54.5 -30.67 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.9 mmmm -64.6 -40.96 96.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.529 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 8.3 tp -77.71 -54.97 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.0 t -44.2 -47.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.49 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.933 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.9 t60 -61.75 -33.6 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.649 ' CG2' HG11 ' A' ' 45' ' ' VAL . 4.5 mt -63.42 -31.21 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -60.35 -15.7 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.2 m -82.57 -11.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -96.24 -12.04 25.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.674 HG22 ' CD2' ' A' ' 41' ' ' LEU . 2.3 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.647 0.736 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.87 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.74 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -90.76 133.81 31.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.41 4.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -94.85 127.84 41.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.5 13.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.46 -4.78 85.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 100' ' ' LYS . 19.9 t -81.85 -27.26 33.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.5 28.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.598 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 21.7 tptt -98.26 146.82 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.87 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -141.8 148.46 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -131.25 123.81 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.38 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -110.03 131.35 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 -39.9 96.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -64.19 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.46 -36.97 79.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.3 tp -66.69 -50.97 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -55.76 -49.68 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 78.9 mt -64.39 -25.84 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.52 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 73.3 t60 -81.91 -31.35 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.6 -36.35 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 8.0 ptp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -122.93 130.36 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.2 t -41.13 127.25 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.66 -7.18 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.4 t80 -71.11 121.32 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 140.54 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.41 22.21 74.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.555 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 12.3 t -119.86 138.19 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.405 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 17.0 t70 -117.14 105.99 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 16.1 mmm180 -151.76 175.15 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -143.7 138.36 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -138.25 153.53 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.22 -7.75 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER -138.28 130.46 28.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.3 p -51.94 -23.09 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.6 m -74.61 -45.11 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 10.4 m-20 -63.84 -40.51 96.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -58.59 -57.9 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.45 -19.39 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.586 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.9 mttp -81.47 -19.39 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.9 t60 -84.74 -1.88 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.8 -22.51 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.84 -21.33 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.91 -14.73 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.596 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.06 133.83 34.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' O ' ' A' ' 37' ' ' THR . 10.4 mt -99.3 163.39 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -132.47 147.51 52.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 45' ' ' VAL . 3.0 t -143.53 105.36 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -100.14 98.76 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.4 t-105 -107.15 123.9 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mt -122.93 111.77 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -88.71 138.12 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.56 -27.16 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.97 14.92 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -80.32 154.98 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 24' ' ' LEU . 11.4 tp -107.87 -3.69 18.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.49 129.28 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.1 tpt180 -138.03 139.94 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.74 139.21 53.22 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' PRO . 17.9 mttm -34.43 131.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 27' ' ' PRO . 5.2 mmmt -114.25 176.48 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -111.8 147.79 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.86 131.77 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -95.17 109.65 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.7 ttt85 -176.72 164.07 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 1.1 p -152.78 168.33 26.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 45.2 m-85 -152.83 170.07 21.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -117.62 -17.85 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.466 ' O ' HD11 ' A' ' 14' ' ' LEU . 16.2 p -120.42 159.19 25.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.619 ' CE ' HD23 ' A' ' 41' ' ' LEU . 8.7 tpt -63.84 -56.01 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -45.49 -36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 5.7 mm-40 -60.48 -47.32 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.619 HD23 ' CE ' ' A' ' 38' ' ' MET . 45.1 tp -63.29 -56.56 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.2 t -54.86 -52.59 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -55.98 -26.73 49.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 38.0 t60 -83.03 -62.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.678 ' CG1' HG21 ' A' ' 82' ' ' ILE . 60.8 t -54.52 -21.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.1 m -93.0 -56.26 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.1 mtt -88.12 -49.88 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 7.9 mm-40 -70.82 4.08 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.17 -73.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.6 t -69.84 -2.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.48 -164.06 48.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.536 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.11 -158.83 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 53.2 Cg_endo -69.81 -19.94 35.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 55' ' ' GLN . 3.7 tp10 -64.11 -62.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -36.23 119.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -75.28 -73.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -79.98 95.38 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.447 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -96.71 128.89 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 9.6 t -141.94 136.87 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.23 115.17 28.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.0 m-85 -112.42 97.52 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.4 t-105 -90.88 146.78 23.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' TRP . 15.3 tt0 -36.69 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' TRP . 51.4 mm-40 -147.15 48.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.572 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 48.5 t -86.89 136.04 34.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -25.63 28.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.563 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 24.6 mmm180 -66.49 -20.06 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER 34.43 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.543 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 98.64 30.76 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' ARG . 11.3 mmmt -98.52 95.73 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -62.64 163.36 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.51 161.13 15.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.2 ttpm? -78.75 5.83 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -163.82 158.73 20.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.11 -60.29 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.429 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 55.3 p90 -50.97 -19.72 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -79.0 -40.88 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 78' ' ' LEU . 3.3 tp -79.06 -36.56 40.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.43 HG12 ' CZ ' ' A' ' 83' ' ' ARG . 70.3 t -60.4 -58.21 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 76' ' ' TYR . 80.9 m-20 -53.36 -27.6 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.877 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.8 t60 -67.78 -36.9 81.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.678 HG21 ' CG1' ' A' ' 45' ' ' VAL . 6.9 mt -61.61 -26.26 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' ARG . 2.0 mpt_? -49.7 -39.78 38.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.877 HG22 ' O ' ' A' ' 81' ' ' HIS . 19.4 m -63.49 -24.17 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.7 1.27 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.432 ' HD1' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.839 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -90.23 135.7 29.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.436 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 1.48 4.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.8 t80 -95.67 132.7 26.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.94 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 42.61 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.436 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 33.9 t -132.57 -59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.91 27.15 70.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 6.7 tptm -94.38 151.02 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.839 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.6 mt -140.44 154.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -136.99 134.79 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.45 0.01 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -125.28 131.11 53.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.1 p -61.63 -47.09 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.8 ' OE2' HD12 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -60.53 -29.9 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.58 -51.17 61.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' HD1' ' A' ' 91' ' ' PHE . 50.6 tp -54.72 -53.98 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.17 -48.49 64.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.8 HD12 ' OE2' ' A' ' 106' ' ' GLU . 68.1 mt -64.21 -25.22 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.403 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 42.6 t60 -79.98 -43.79 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 5.9 mtpm? -57.03 -31.29 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -115.97 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.7 t -39.5 110.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.45 -11.33 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 145' ' ' HIS . 4.5 t80 -72.0 122.17 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 152.93 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.76 8.87 42.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.65 143.58 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -124.58 107.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -144.39 -177.31 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -149.94 126.71 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -136.72 160.82 37.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.91 -10.8 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.85 135.84 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -50.91 -27.86 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 m -66.4 -55.58 15.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.34 -42.42 77.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.85 -47.94 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -65.19 -17.75 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.12 -20.36 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 45.3 t60 -89.0 -2.4 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.96 -20.99 25.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -56.11 -20.19 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.17 -16.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 125' ' ' PHE . 21.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' CD ' ' N ' ' A' ' 14' ' ' LEU . 1.6 tp10 -82.62 131.49 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 13' ' ' GLU . 3.1 mt -125.27 159.31 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 p -134.08 127.83 32.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -100.3 91.93 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -81.71 98.71 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.663 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.9 t-105 -107.03 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.418 HG23 HE22 ' A' ' 23' ' ' GLN . 2.6 mt -120.79 100.27 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.27 128.88 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 6.9 mt-10 -69.61 -29.82 67.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.21 33.3 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.418 HE22 HG23 ' A' ' 19' ' ' ILE . 16.3 pt20 -77.39 122.78 25.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.0 tt -75.38 3.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.17 130.43 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 19.8 mmm-85 -133.98 155.87 79.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.8 155.12 93.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.383 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -48.75 110.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.17 136.09 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.29 122.26 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -97.24 125.74 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -177.75 161.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.5 p -137.26 159.4 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 m-85 -143.66 147.15 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -82.77 -22.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.1 171.66 13.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.715 ' SD ' HG21 ' A' ' 86' ' ' THR . 17.1 tpp -69.74 -55.91 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -46.87 -37.18 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.57 -34.98 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 10.1 tp -77.95 -51.1 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -51.77 -55.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -46.99 -30.85 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.539 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 39.0 t60 -80.28 -62.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.632 HG12 HD13 ' A' ' 82' ' ' ILE . 13.0 t -54.23 -21.76 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -93.12 -56.59 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.8 mtt -87.73 -49.88 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.539 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 47.6 mm-40 -70.76 3.79 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.663 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.78 -73.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 82' ' ' ILE . 55.8 t -70.08 -2.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 51.89 176.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -161.09 7.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.83 34.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.41 -15.4 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.538 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -86.92 106.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -55.87 -73.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.75 106.96 18.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.441 ' HB2' HG13 ' A' ' 50' ' ' VAL . 2.7 p-80 -107.42 121.88 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.45 136.54 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -105.1 117.53 34.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 21' ' ' GLU . 49.0 m-85 -103.56 97.22 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.5 t-105 -90.32 145.29 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -44.71 -21.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.548 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 5.1 tt0 -158.44 33.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.4 t -46.95 134.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -18.95 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.98 -13.45 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 63.03 37.49 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.9 64.18 4.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -112.04 136.09 51.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 p -61.66 168.62 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -122.12 -179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.18 -6.56 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.699 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -163.85 176.87 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -76.41 -58.41 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -52.34 -19.71 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.699 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.4 mmmt -72.41 -38.72 68.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 18.9 tp -82.04 -44.26 16.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.46 -41.87 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -67.81 -35.41 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.666 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.0 t60 -58.95 -52.43 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.632 HD13 HG12 ' A' ' 45' ' ' VAL . 3.2 mt -51.07 -18.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -66.19 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.4 m -72.13 -21.97 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.551 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -69.14 -11.25 60.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.715 HG21 ' SD ' ' A' ' 38' ' ' MET . 7.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.76 -168.75 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -91.62 135.88 27.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.476 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.1 t80 -94.1 133.51 27.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.78 -53.84 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.88 37.41 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.6 t -134.63 -66.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.89 70.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.584 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 8.5 tptm -89.77 148.53 23.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.687 HG23 ' HA ' ' A' ' 92' ' ' PRO . 2.1 mt -129.09 150.44 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.584 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 5.6 m-85 -134.15 139.22 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.66 -18.34 59.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -110.88 131.5 55.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -61.08 -46.22 91.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.13 -33.23 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.44 -32.04 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HG ' ' CD ' ' A' ' 112' ' ' LYS . 2.1 tp -73.05 -51.36 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -56.56 -48.3 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 96.9 mt -64.38 -35.39 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.554 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 21.1 t60 -79.06 -21.66 46.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 13.8 mtpt -77.65 -29.36 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 12.2 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.5 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -116.13 133.84 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' LYS . 38.7 t -36.05 125.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.65 -5.81 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.611 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -72.68 122.56 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 6.0 tp10 -65.07 134.06 52.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 84.08 12.08 77.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 t -118.37 144.95 45.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.73 108.09 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -146.16 179.95 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -151.01 137.68 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 121' ' ' PHE . 14.2 m-85 -153.16 160.17 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.24 -7.54 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.424 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.2 OUTLIER -139.92 142.96 36.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 t -57.53 -35.86 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -55.9 -40.71 73.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.0 -47.58 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -60.24 -34.99 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -76.15 -24.79 54.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -74.83 -19.35 60.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -89.07 -1.1 57.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -87.93 -20.9 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -55.26 -21.07 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.39 -13.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.611 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -92.69 129.44 38.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 41' ' ' LEU . 11.5 mt -97.29 167.62 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -146.83 130.42 16.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 101.98 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -88.22 98.78 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.683 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.6 t-105 -107.08 117.15 33.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 63' ' ' GLU . 3.2 mt -119.65 100.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 21' ' ' GLU . 4.4 t0 -71.29 135.77 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 1.9 pt-20 -77.06 -41.31 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.33 18.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' CD ' ' HD3' ' A' ' 28' ' ' LYS . 6.9 pt20 -70.77 138.85 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.08 5.45 51.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.6 128.0 35.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -129.75 131.86 23.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.72 173.13 45.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HD3' ' CD ' ' A' ' 23' ' ' GLN . 33.9 mmtm -60.68 118.34 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -105.67 151.85 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -100.09 163.08 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -61.7 154.87 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t0 -121.81 112.43 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -169.39 161.21 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -147.35 158.14 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 56.4 m-85 -151.69 170.08 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -112.56 -22.87 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.498 ' C ' HD11 ' A' ' 14' ' ' LEU . 1.1 p -125.32 154.37 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.533 ' SD ' HG21 ' A' ' 86' ' ' THR . 17.6 tpp -57.62 -55.9 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -43.35 -43.19 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 39.7 mm-40 -59.26 -44.74 92.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 14' ' ' LEU . 17.4 tp -65.93 -53.24 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.3 -58.68 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -48.63 -30.81 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' GLU . 25.5 t60 -79.4 -62.7 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 41' ' ' LEU . 35.5 t -54.89 -21.07 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' GLY . 11.2 m -93.57 -54.22 3.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.46 -51.11 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.6 mt-10 -70.61 3.77 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 8.7 m-70 -141.65 -73.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.82 HG21 HD11 ' A' ' 82' ' ' ILE . 56.0 t -71.02 -3.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 74.86 -179.13 45.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.5 -161.79 36.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -104.93 45.02 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -137.94 137.9 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -89.04 -75.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.75 98.55 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.513 ' HB2' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -107.16 126.44 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.0 137.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -106.95 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m-85 -102.73 97.19 7.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.522 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.53 145.58 24.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 19' ' ' ILE . 42.9 tt0 -44.13 -21.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 62' ' ' TRP . 2.4 mt-10 -158.68 33.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -45.4 134.37 5.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -26.32 27.66 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -85.9 -22.99 27.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 70.01 28.35 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.64 62.65 3.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.82 103.4 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 p -39.2 147.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 78' ' ' LEU . 70.1 m-85 -103.65 -176.2 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -98.81 -11.51 21.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.901 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -158.51 172.28 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -58.17 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.484 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 31.8 p90 -54.94 -18.02 4.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.901 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 12.0 mmmm -74.53 -38.29 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 72' ' ' PHE . 13.3 tp -83.98 -42.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.447 HG22 HG23 ' A' ' 46' ' ' THR . 53.0 t -55.0 -46.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.9 OUTLIER -56.72 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.744 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.1 t60 -62.43 -47.43 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.82 HD11 HG21 ' A' ' 50' ' ' VAL . 3.4 mt -54.58 -17.12 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mmm-85 -69.94 -32.57 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.0 m -72.03 -20.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.522 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.1 m-70 -70.96 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.533 HG21 ' SD ' ' A' ' 38' ' ' MET . 19.9 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.897 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.73 -171.28 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.264 . . . . 0.0 112.365 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -89.92 136.08 29.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.4 t80 -94.76 133.93 25.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.07 46.81 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.4 t -136.79 -48.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.14 28.8 19.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 19.7 tptt -95.66 153.61 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.897 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -143.69 159.8 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -143.51 131.69 21.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.41 -10.39 58.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -110.28 132.56 54.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.7 p -67.96 -35.45 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.8 -20.97 55.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -81.57 -38.86 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 102' ' ' PHE . 10.7 tp -65.22 -52.66 53.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 5.0 ptpt -55.39 -49.22 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 88.8 mt -55.05 -33.92 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.42 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 6.3 t60 -77.07 -54.14 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.442 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.0 mtpt -46.05 -28.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 5.5 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.958 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.2 ttpp -116.73 127.89 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 122' ' ' LYS . 43.8 t -36.4 117.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -72.84 -5.33 37.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.527 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.0 t80 -72.5 121.95 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.1 153.55 29.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.85 16.84 53.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.63 143.18 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -124.96 105.94 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 3.8 mmm180 -142.61 179.79 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -151.63 125.41 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 9.3 m-85 -132.75 163.61 28.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.86 -15.03 10.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.541 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.4 141.54 39.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t -48.2 -53.94 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.1 m -41.24 -54.82 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.32 -52.52 61.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.493 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 13.3 ttp180 -54.58 -42.82 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -68.94 -26.84 65.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.7 mtpp -75.14 -19.13 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 65.3 t60 -85.42 -1.67 57.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.85 -23.22 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.63 -20.81 8.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.51 -15.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.527 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.403 HE22 ' HB1' ' A' ' 103' ' ' ALA . 10.0 tt0 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.747 0.308 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.52 131.58 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 37' ' ' THR . 4.5 mt -104.15 163.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -127.76 140.82 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.19 92.83 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -86.23 98.97 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 20.1 t-105 -107.33 122.5 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 5.4 mt -122.66 99.21 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.2 t70 -74.5 104.04 5.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 4.8 pt-20 -35.71 -36.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -101.24 46.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.87 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 24' ' ' LEU . 1.9 tm? -123.91 1.71 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.29 174.03 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 8.1 mmt85 -149.94 132.92 8.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.75 -179.44 19.16 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.316 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -56.93 131.87 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -114.31 144.15 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.51 162.46 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 128.11 34.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 92.73 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -131.88 163.43 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.6 p -149.29 158.69 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 70.1 m-85 -151.01 171.01 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.6 m -107.35 -12.64 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.472 ' O ' HD11 ' A' ' 14' ' ' LEU . 72.8 p -138.3 169.6 17.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 tpp -69.89 -55.91 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -48.66 -47.71 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.89 -32.95 22.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 45' ' ' VAL . 18.6 tp -77.93 -47.52 18.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.58 -56.68 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.1 m -47.55 -31.79 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.7 t60 -80.45 -62.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.453 HG23 HD12 ' A' ' 41' ' ' LEU . 42.9 t -53.86 -21.98 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.8 m -93.09 -56.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -87.55 -49.91 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 18.7 mm-40 -70.54 3.31 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.46 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 82' ' ' ILE . 54.5 t -69.96 -2.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 65.72 -157.77 47.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.29 -165.24 20.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -2.49 10.23 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.83 -23.67 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 109.41 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -50.5 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -83.22 112.51 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.544 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -100.47 109.71 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.91 138.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.03 113.13 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -98.65 97.16 8.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.57 145.37 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.97 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.3 mm-40 -158.82 33.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.0 t -47.02 134.36 8.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.24 11.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.518 HH21 ' CD2' ' A' ' 81' ' ' HIS . 5.5 mtm105 -101.26 -28.4 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 8.7 mt-10 79.13 26.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.43 56.23 5.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -108.38 104.42 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -43.97 159.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -105.67 -175.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -95.88 -1.5 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -169.28 -174.82 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -81.7 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 35.9 p90 -51.72 -27.89 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 13.9 mmmm -67.64 -31.85 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 60' ' ' CYS . 16.1 tp -86.02 -46.78 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.08 -42.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.677 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.3 t60 -62.78 -46.29 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 50' ' ' VAL . 2.9 mt -54.39 -19.5 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.31 -16.03 63.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.1 m -88.36 -23.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.682 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.42 -5.35 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 41' ' ' LEU . 41.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.657 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.2 Cg_endo -69.71 -169.12 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -90.38 136.13 28.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.464 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.72 3.75 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.454 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.7 t80 -107.76 126.46 29.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.71 -52.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.79 -2.74 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -99.26 -50.19 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.87 29.01 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 33.5 tptt -94.46 152.18 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' ' 92' ' ' PRO . 7.1 mt -135.12 137.95 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -121.84 160.06 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.403 ' HB1' HE22 ' A' ' 12' ' ' GLN . . . -99.69 -14.3 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -114.94 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.58 -47.52 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.33 -34.31 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -67.53 -45.44 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 102' ' ' PHE . 9.5 tp -65.7 -55.56 16.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -50.6 -43.55 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 95.1 mt -72.15 -31.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.579 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 27.1 t60 -80.95 -20.96 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.3 mtpm? -78.82 -36.31 42.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 135' ' ' SER . 40.9 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -122.44 135.25 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.82 114.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.51 -4.59 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.502 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -73.25 125.92 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -68.74 134.55 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.54 11.05 82.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.56 143.85 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -122.36 106.07 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' HG2' ' A' ' 131' ' ' ARG . 18.4 mmt180 -146.61 165.17 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.407 ' HG2' ' C ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -137.13 127.71 26.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.42 152.09 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.34 -24.37 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -125.43 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.52 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 80.4 p -51.95 -48.77 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.4 t -40.88 -48.27 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.78 -49.13 78.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.55 -37.1 72.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.77 -22.25 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -80.76 -21.19 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.0 t60 -86.03 -1.22 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.6 mmt -87.86 -21.17 25.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -55.29 -20.78 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.29 -14.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.502 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -93.72 133.84 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -93.78 167.31 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -131.87 128.22 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' HG22 ' A' ' 45' ' ' VAL . 1.8 t -121.17 104.84 10.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -101.69 98.9 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.8 t-105 -107.09 111.34 23.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 28' ' ' LYS . 4.8 mt -114.57 102.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.916 ' OD2' ' HB3' ' A' ' 22' ' ' ALA . 28.5 t70 -78.12 114.85 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.31 -24.38 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.916 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . . . -72.53 -2.71 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ASP . 2.0 pt20 -60.53 160.28 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.22 16.94 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -112.33 150.15 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.4 tmm_? -143.43 133.72 12.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.77 167.25 71.74 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.339 0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 10.8 mmtp -43.85 168.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 141.84 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.1 p -103.42 137.48 41.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.78 -26.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 50.87 59.3 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 6.1 tpm_? -109.56 151.69 26.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 p -137.33 161.15 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -152.31 170.89 18.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -109.91 -9.31 14.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -144.02 153.97 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 tpp -55.58 -55.98 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -45.09 -46.13 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.18 -36.29 68.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.589 HD21 HG22 ' A' ' 86' ' ' THR . 15.5 tp -71.98 -57.54 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.09 -57.1 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.8 m -50.83 -28.05 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -83.0 -62.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.606 HG11 ' CG2' ' A' ' 82' ' ' ILE . 19.9 t -54.2 -21.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.4 m -93.1 -56.28 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.9 mtt -88.0 -49.76 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 58.2 mm-40 -70.77 3.54 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -142.73 -73.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.0 t -69.71 -2.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.37 -164.26 44.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.04 -163.48 31.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.55 4.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -86.05 -34.13 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -52.91 135.1 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.94 -71.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD22 ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -86.14 129.09 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.808 ' HB3' HD23 ' A' ' 78' ' ' LEU . 6.8 m170 -105.25 106.31 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.38 134.51 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.462 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.33 114.02 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 1.6 m-85 -100.27 97.06 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.693 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.68 145.14 25.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -43.55 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 16.6 tt0 -157.86 33.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -45.06 134.01 5.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.687 0.756 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.51 36.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -94.22 -23.12 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 73.94 30.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.21 59.27 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -101.24 118.4 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 p -48.06 154.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 19.3 m-85 -110.68 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -96.08 -7.54 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -164.48 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.14 -51.71 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 2.4 p90 -58.45 -28.01 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.834 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 21.0 mmmt -62.69 -40.3 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 58' ' ' HIS . 8.2 tp -84.82 -49.35 8.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -49.6 -31.22 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.69 -35.96 60.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.861 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.8 t60 -64.38 -41.08 96.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.606 ' CG2' HG11 ' A' ' 45' ' ' VAL . 4.2 mt -51.46 -27.95 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -63.43 -29.24 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.5 m -69.16 -22.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.693 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 11.8 m-70 -74.72 -13.0 60.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.589 HG22 HD21 ' A' ' 41' ' ' LEU . 1.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.853 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -89.94 135.47 30.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.471 ' CD ' HD11 ' A' ' 108' ' ' LEU . 54.1 Cg_endo -69.78 -22.78 31.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.384 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.95 128.77 93.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.697 0.761 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 125.76 12.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.03 -6.89 83.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 100' ' ' LYS . 16.1 t -80.46 -32.15 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.3 24.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 17.5 tptt -88.87 147.45 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.853 HG23 ' HA ' ' A' ' 92' ' ' PRO . 2.4 mt -139.58 152.13 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.1 m-85 -134.04 135.02 43.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.13 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -128.9 131.13 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.1 p -57.75 -56.28 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.31 -42.52 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.44 -42.1 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.511 HD23 ' CD1' ' A' ' 91' ' ' PHE . 10.0 tp -67.64 -44.4 78.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.66 -38.92 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -77.53 -30.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 66.1 t60 -77.98 -21.67 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.4 mtpm? -80.72 -37.85 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 113' ' ' ARG . 3.5 ptm85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.947 0.403 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -122.94 136.33 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 49.3 t -40.08 115.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -64.97 -11.5 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -71.02 123.22 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.6 151.32 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.91 11.73 58.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.4 t -113.68 149.29 34.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -124.91 109.21 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -149.02 179.73 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 128.56 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -139.18 154.5 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.8 -11.48 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -139.69 132.14 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -46.74 -39.79 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -51.56 -53.97 32.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.47 -37.98 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.66 -49.25 78.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 64.6 mttt -76.78 -20.44 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.1 t60 -84.86 -2.25 57.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.7 mmt -87.92 -21.18 25.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.98 -21.21 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.58 -16.35 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.6 m-70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 3.1 pt-20 -90.97 148.09 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -130.47 165.08 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m -132.14 164.86 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 100.29 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.16 98.93 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 13.7 t-105 -107.13 123.45 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.509 HG23 HE22 ' A' ' 23' ' ' GLN . 1.9 mt -122.44 100.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 9.0 t70 -77.77 130.7 37.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.7 -34.04 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.93 1.87 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.509 HE22 HG23 ' A' ' 19' ' ' ILE . 15.4 pt20 -67.66 126.12 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.2 16.06 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.6 t -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.2 tpt180 -153.05 140.25 13.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.8 Cg_endo -69.74 149.89 89.24 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.343 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HE2' ' NE2' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -44.85 124.2 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.97 149.54 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -101.23 151.42 21.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 140.03 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -116.67 121.37 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 18.7 ttt85 -174.24 168.08 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 p -145.06 168.03 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE1' HD13 ' A' ' 41' ' ' LEU . 2.4 m-85 -152.16 164.62 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -104.71 -27.68 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 p -123.7 169.45 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.58 -55.97 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -48.83 -34.72 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.21 -44.33 95.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.704 HD23 HG22 ' A' ' 86' ' ' THR . 22.0 tp -67.61 -57.88 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.769 HG11 ' NH1' ' A' ' 83' ' ' ARG . 57.2 t -49.87 -53.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.6 m -50.75 -30.24 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 33.8 t60 -80.97 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.564 HG12 HD13 ' A' ' 82' ' ' ILE . 14.0 t -54.04 -21.91 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.17 -56.44 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.0 mtt -87.35 -49.96 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 31.4 mm-40 -70.85 3.51 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.3 -73.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.9 t -69.78 -2.89 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.62 -170.17 46.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.21 -162.28 34.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.59 -44.25 7.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.83 107.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -54.86 -76.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.01 98.45 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.785 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.7 109.72 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.51 134.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.573 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -102.33 113.73 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -99.21 96.88 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 85' ' ' HIS . 6.0 t-105 -90.93 145.12 25.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HA ' HD12 ' A' ' 19' ' ' ILE . 28.4 tt0 -45.02 -25.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -151.42 31.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -44.41 134.23 4.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -19.59 35.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -88.57 -1.19 57.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 49.44 31.36 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.97 63.21 3.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -112.99 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LYS . 3.5 t -36.82 154.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CE1' HD13 ' A' ' 78' ' ' LEU . 63.9 m-85 -102.91 -173.71 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 15.12 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.976 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -162.53 178.65 8.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -88.76 -47.9 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 24.6 p90 -65.95 -18.98 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.976 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 24.3 mmmt -70.48 -40.48 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.785 HD23 ' HB2' ' A' ' 58' ' ' HIS . 2.4 tp -80.15 -52.98 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -51.4 -30.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.4 -21.04 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.681 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.5 t60 -75.4 -44.08 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.608 HD11 HG21 ' A' ' 50' ' ' VAL . 2.0 mt -52.71 -24.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.769 ' NH1' HG11 ' A' ' 42' ' ' VAL . 15.1 mmt180 -59.25 -16.15 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.5 m -87.64 -10.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.566 ' HB3' ' CZ2' ' A' ' 62' ' ' TRP . 23.4 m-70 -98.11 -4.27 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.704 HG22 HD23 ' A' ' 41' ' ' LEU . 1.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.691 0.758 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.754 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.76 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.94 136.02 29.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.539 ' O ' ' HB1' ' A' ' 133' ' ' ALA . 54.6 Cg_endo -69.71 3.48 2.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.4 t80 -107.95 131.41 21.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.9 Cg_endo -69.77 -53.74 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.74 -2.86 13.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.3 t -100.48 -48.81 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.69 25.32 3.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.597 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 15.5 tptt -89.27 152.23 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 92' ' ' PRO . 6.9 mt -136.21 144.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.597 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -128.87 159.85 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.08 0.09 48.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -123.37 150.17 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.4 p -76.1 -46.84 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 107' ' ' ASN . 4.0 pt-20 -60.38 -34.71 74.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.408 ' N ' ' HG2' ' A' ' 106' ' ' GLU . 2.7 m120 -60.89 -49.0 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.411 HD21 ' O ' ' A' ' 92' ' ' PRO . 7.2 tp -63.78 -59.05 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -40.9 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 72.9 mt -75.59 -31.37 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 17.5 t60 -81.0 -20.04 42.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.478 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 7.3 mtpm? -76.75 -28.65 55.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 9.9 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.396 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' CYS . 14.1 ttpp -122.69 133.21 54.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.414 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 47.8 t -37.28 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.438 ' HG3' ' HE1' ' A' ' 142' ' ' MET . 4.3 pt-20 -63.89 -7.71 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.488 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.7 t80 -71.17 120.62 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 10.6 tp10 -62.05 145.13 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.463 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 70.76 18.16 75.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.47 144.57 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.92 105.97 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -151.02 177.39 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -147.23 128.24 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -127.34 158.93 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 94' ' ' PRO . . . -111.08 -19.21 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.42 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.7 OUTLIER -130.48 137.63 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -53.2 -36.08 60.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -55.63 -44.23 76.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 29.5 m-20 -63.75 -43.96 94.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -57.13 -45.0 83.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -72.52 -21.19 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.2 mtpp -84.89 -21.14 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 69.8 t60 -81.47 -3.39 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.438 ' HE1' ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -88.02 -18.69 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.2 OUTLIER -59.72 -20.26 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.519 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.2 -19.46 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.488 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 22.7 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -90.51 122.55 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 38' ' ' MET . 26.7 mt -102.3 167.9 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -140.5 131.56 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.74 87.98 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -81.3 98.89 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.74 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 18.3 t-105 -107.05 122.91 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.758 HG23 HE22 ' A' ' 23' ' ' GLN . 2.6 mt -122.73 99.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 2.5 t0 -74.6 103.27 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -37.07 -51.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.88 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.758 HE22 HG23 ' A' ' 19' ' ' ILE . 15.6 pt20 -78.91 141.94 37.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.56 16.25 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 18.7 p -111.7 144.74 40.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.4 mmm180 -153.1 134.87 8.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.73 152.5 92.3 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.341 -0.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -45.8 125.75 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HD3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -111.82 175.46 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 31' ' ' CYS . 3.1 p -117.92 125.07 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.0 t -35.01 99.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.28 111.95 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -175.11 168.96 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.638 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.7 t -156.5 174.01 16.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -152.1 167.22 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -88.5 -45.51 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.2 p -114.12 157.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.3 tpp -57.98 -54.82 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -42.02 -43.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.42 -44.55 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 86' ' ' THR . 12.8 tp -69.19 -48.75 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.663 HG22 HH22 ' A' ' 83' ' ' ARG . 13.6 t -51.38 -51.49 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.1 m -56.46 -25.82 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.8 t60 -83.03 -62.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 HD13 ' A' ' 82' ' ' ILE . 19.4 t -54.41 -21.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.1 m -93.18 -56.3 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.0 mtt -88.01 -50.01 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.531 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 30.8 mm-40 -70.63 3.41 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.5 m-70 -142.33 -73.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 50' ' ' VAL . 55.7 t -70.0 -2.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 48.01 -174.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.64 -168.45 42.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.69 -23.14 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 50' ' ' VAL . 8.4 mt-30 -59.02 126.77 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -46.18 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -112.54 130.73 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.58 ' HB3' HD23 ' A' ' 78' ' ' LEU . 8.4 m170 -95.85 106.79 18.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 t -139.25 136.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.84 112.8 24.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 11.6 m-85 -99.32 97.36 8.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.6 t-105 -90.28 145.39 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.9 tt0 -42.39 -22.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' TRP . 32.6 mm-40 -159.55 33.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.492 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -43.8 134.52 3.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 54.1 Cg_endo -69.79 -26.17 27.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.18 -22.35 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 73.83 34.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.43 55.38 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 8.7 mmmt -87.79 89.59 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m -35.0 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 29.4 m-85 -123.24 160.71 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE2' ' CA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -99.2 40.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.791 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -173.84 136.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.807 ' O ' HG23 ' A' ' 79' ' ' VAL . 12.9 mmmt -61.32 -36.88 81.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -85.35 -6.74 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.791 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 15.8 mmtt -80.18 -41.13 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.685 ' O ' HD12 ' A' ' 78' ' ' LEU . 4.1 tp -78.83 -37.09 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 75' ' ' LYS . 44.0 t -60.16 -56.42 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.44 ' C ' ' HD2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -47.71 -28.29 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -72.12 -41.04 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.729 HD13 HG12 ' A' ' 45' ' ' VAL . 2.8 mt -58.27 -23.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.663 HH22 HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -47.72 -40.63 20.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 m -68.23 -24.27 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.17 -1.06 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 41' ' ' LEU . 46.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.608 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.898 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.78 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.9 135.86 24.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.473 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.4 Cg_endo -69.72 3.13 2.93 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -96.9 132.5 25.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.73 -53.92 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.35 42.27 3.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.2 t -134.14 -55.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.18 25.96 57.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 35.0 tptt -92.1 150.79 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.898 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.0 mt -139.68 140.97 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -125.82 134.35 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.64 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -110.1 131.12 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.3 p -57.94 -51.23 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 6.6 tt0 -54.54 -43.25 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -58.47 -38.56 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 102' ' ' PHE . 6.3 tp -72.04 -46.7 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -60.71 -48.12 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 64.5 mt -63.99 -33.04 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 27.4 t60 -80.3 -24.43 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 14.2 mtpt -78.56 -32.47 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -123.03 138.01 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 50.6 t -43.83 115.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.54 -7.37 37.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -71.48 141.05 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.98 152.88 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 53.78 26.9 34.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 5.9 t -121.81 139.71 53.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -120.0 106.74 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -148.01 -178.08 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -155.29 130.29 9.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.31 146.64 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.25 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.63 152.88 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 m -60.19 -49.04 79.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 p -45.59 -46.47 14.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.63 -35.12 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.22 -53.57 42.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -60.69 -20.69 61.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.8 mttp -76.95 -19.57 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 55.7 t60 -85.33 -2.28 57.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -87.86 -22.24 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -56.05 -20.65 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.11 -16.16 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.52 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 18.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.708 0.289 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -94.47 131.46 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.14 161.34 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -126.6 127.9 45.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 45' ' ' VAL . 8.6 t -111.42 93.73 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' ' HZ3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -94.33 98.91 11.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 9.7 t-105 -107.17 114.46 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -111.52 113.67 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.42 133.22 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.94 -40.18 54.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.87 28.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 7.9 pt20 -80.54 137.54 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.9 tt -92.79 0.4 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.46 127.88 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.555 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.6 tpt180 -128.78 140.01 37.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.81 165.56 76.45 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' CD ' ' A' ' 23' ' ' GLN . 32.9 mmtm -50.28 118.96 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -105.04 152.42 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 5.2 p -104.97 163.94 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.19 -56.61 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.06 57.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.597 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 19.2 tpt180 -115.92 152.24 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.509 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.4 p -130.27 164.0 25.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -153.04 166.77 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -97.49 -32.53 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -126.06 165.24 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.852 ' CE ' HD23 ' A' ' 41' ' ' LEU . 6.1 tpt -64.82 -55.62 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -44.39 -33.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.34 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.852 HD23 ' CE ' ' A' ' 38' ' ' MET . 62.2 tp -72.8 -38.84 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.44 -57.46 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.37 -28.03 27.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t60 -82.78 -62.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.633 ' CG1' HG21 ' A' ' 82' ' ' ILE . 75.6 t -53.72 -22.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 42.9 m -93.04 -56.4 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.0 mtt -87.26 -50.04 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.5 mm-40 -70.67 3.26 3.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.07 -74.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.925 HG21 HD11 ' A' ' 82' ' ' ILE . 55.2 t -69.42 -2.96 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 72.73 -173.76 46.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.78 -160.64 23.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.84 5.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -104.3 7.38 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 3.9 tp-100 -86.58 146.31 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 57' ' ' ASN . 1.1 p-10 -90.02 -71.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 29.2 t30 -95.21 100.76 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -90.7 111.35 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.638 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 2.4 t -138.6 132.51 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.24 114.29 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.638 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.6 m-85 -111.77 97.38 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.7 t-105 -90.9 146.54 23.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -37.81 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 62' ' ' TRP . 3.3 mm-40 -148.6 49.63 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.566 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 41.9 t -86.57 135.24 36.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.76 37.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 1.6 mmp_? -67.38 -32.21 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 54.05 15.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.587 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 119.59 -24.69 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.55 105.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -177.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -113.69 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -100.69 -10.65 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . . . -148.59 153.48 38.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -63.46 -54.46 36.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 77' ' ' LYS . 6.2 p90 -55.91 -34.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -68.77 -33.61 74.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.99 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -77.01 -43.73 33.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.37 -51.56 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -51.48 -33.8 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.764 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 t60 -68.65 -39.5 80.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.925 HD11 HG21 ' A' ' 50' ' ' VAL . 10.9 mt -65.01 -16.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.5 -20.94 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.8 m -80.87 -21.66 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -77.87 -4.54 47.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.467 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 26.9 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.031 ' CE2' HD23 ' A' ' 108' ' ' LEU . 1.5 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.783 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.3 Cg_endo -69.71 -165.8 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 42.6 t -89.74 131.23 40.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -68.8 132.75 90.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.8 Cg_endo -69.73 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.23 40.8 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 8.2 t -135.71 -55.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.36 19.26 39.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 7.3 tptm -83.25 150.91 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.783 HG23 ' HA ' ' A' ' 92' ' ' PRO . 5.0 mt -129.51 147.43 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.617 ' CZ ' ' CG ' ' A' ' 111' ' ' HIS . 9.0 m-85 -131.92 135.17 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.47 -13.1 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.13 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -61.23 -48.48 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.75 -30.11 65.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -53.28 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.031 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.2 tp -61.36 -53.4 57.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -52.83 -34.19 52.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 96.8 mt -84.33 -29.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.617 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 57.8 t60 -79.41 -22.24 44.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -79.65 -28.52 40.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 1.4 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.9 ttpt -106.31 137.6 43.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' LYS . 25.8 t -37.57 134.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.1 -6.41 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -71.73 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.17 21.08 79.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 10.7 t -121.09 148.62 43.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.99 109.1 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -151.95 173.78 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -145.28 134.37 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 121' ' ' PHE . 38.8 m-85 -147.4 161.5 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.86 -11.23 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.71 136.46 35.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -49.0 -37.76 21.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.2 m -53.45 -52.19 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.75 -48.19 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -59.05 -36.99 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -73.64 -24.38 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -74.4 -21.11 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 39.4 t60 -86.27 0.29 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.67 -20.31 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -56.43 -20.09 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.38 -18.01 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 17.2 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.7 133.87 34.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.609 ' O ' HG22 ' A' ' 34' ' ' THR . 8.8 mt -92.54 167.89 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.1 m -148.61 134.89 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.33 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -83.59 98.85 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 15.4 t-105 -107.03 118.58 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.437 HD12 ' HG3' ' A' ' 63' ' ' GLU . 2.6 mt -118.36 99.11 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 18.5 m-20 -74.0 112.18 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.72 -32.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.35 39.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -42.35 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.2 tt -106.53 0.02 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -128.09 174.68 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 12.0 tpt180 -146.93 132.87 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -172.09 7.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.332 0.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 87.2 mttt -63.33 126.92 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 160.61 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.73 152.09 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.64 98.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.25 84.88 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -140.66 158.15 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 14' ' ' LEU . 4.3 p -148.78 168.19 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -152.44 170.11 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -96.85 -36.2 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -114.32 158.77 21.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.7 tpp -65.44 -44.0 88.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -53.06 -43.27 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.12 -39.23 74.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 tp -73.46 -51.57 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 HH12 ' A' ' 83' ' ' ARG . 10.6 t -50.76 -56.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -52.91 -26.31 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.3 t60 -82.89 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.628 ' CG1' HG21 ' A' ' 82' ' ' ILE . 37.6 t -54.1 -21.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 19.3 m -93.05 -56.33 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 mtt -87.96 -49.87 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 24.3 mm-40 -70.67 3.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.718 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 9.9 m-70 -142.38 -73.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.772 HG21 HD11 ' A' ' 82' ' ' ILE . 54.9 t -69.7 -2.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.42 -169.69 43.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.67 -165.48 30.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.43 10.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.72 27.82 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.766 HE21 ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -85.74 -63.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -81.5 102.56 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.517 ' HB2' HD23 ' A' ' 78' ' ' LEU . 1.8 p-80 -109.27 111.27 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.2 t -140.14 138.34 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 116.86 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.8 96.78 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.574 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 3.9 t-105 -90.39 144.93 25.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 19' ' ' ILE . 46.6 tt0 -43.71 -26.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -151.56 30.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.0 t -42.53 134.24 2.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.66 26.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 16.4 mmm180 -85.25 -18.65 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 4.3 mt-10 69.47 34.93 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.43 61.5 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -109.52 113.67 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.9 p -43.27 161.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.79 -179.8 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -84.72 -22.12 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -147.84 170.59 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -52.65 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.401 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 13.7 p90 -58.38 -24.14 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.61 -37.43 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 58' ' ' HIS . 54.8 tp -80.11 -41.67 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.59 -34.13 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -74.64 -25.33 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.656 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.8 t60 -71.04 -49.51 44.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.772 HD11 HG21 ' A' ' 50' ' ' VAL . 3.7 mt -55.57 -17.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.529 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -61.51 -25.58 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 81' ' ' HIS . 5.9 m -83.66 -19.98 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.574 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -75.52 -25.28 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.913 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.82 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.83 135.4 30.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -22.06 32.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.753 2.302 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -71.64 133.03 84.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.82 -53.75 0.25 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.34 38.69 2.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.9 t -130.11 -62.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.38 21.96 68.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.584 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 27.3 tptt -87.41 150.46 23.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.708 0.29 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.9 mt -142.1 147.42 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.584 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -130.92 148.95 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.52 -13.52 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -114.34 149.64 35.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 t -73.66 -50.36 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 110' ' ' ILE . 14.4 tt0 -58.41 -35.62 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 107' ' ' ASN . 1.0 OUTLIER -64.28 -28.18 69.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.855 HD21 ' O ' ' A' ' 92' ' ' PRO . 4.5 tp -85.49 -56.2 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.38 -24.74 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 106' ' ' GLU . 86.8 mt -85.06 -32.49 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 8.2 t60 -80.24 -19.26 47.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -74.83 -26.96 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -120.08 136.56 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.8 t -42.55 118.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.21 -4.71 37.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.675 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.98 139.49 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -73.67 155.77 38.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.15 13.85 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.57 138.79 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.82 106.54 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 141' ' ' HIS . 56.0 mmm-85 -145.73 174.47 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 142.9 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -143.21 160.21 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -111.1 -20.19 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -129.17 150.94 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.4 p -52.01 -48.95 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 p -55.91 -55.55 31.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.423 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 7.2 m-20 -45.15 -28.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -83.07 -53.28 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -66.88 -15.01 63.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -78.96 -20.85 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.611 ' CE1' ' NH1' ' A' ' 130' ' ' ARG . 37.8 t60 -88.11 -0.12 56.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.71 -23.1 25.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -52.93 -20.45 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.24 -16.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.675 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.772 ' NE2' HD21 ' A' ' 14' ' ' LEU . 3.7 pm0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.71 145.17 26.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.907 ' O ' HG22 ' A' ' 34' ' ' THR . 9.6 mt -109.62 168.06 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 m -140.2 128.12 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.625 ' SG ' HG22 ' A' ' 45' ' ' VAL . 2.3 t -122.97 98.43 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -93.77 98.09 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.644 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 8.1 t-105 -107.97 122.65 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 4.1 mt -124.13 99.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLN . 42.5 t0 -83.28 114.92 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -39.28 -31.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.93 40.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -44.83 169.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -101.18 -14.21 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.418 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.4 175.21 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -150.62 134.94 9.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.1 Cg_endo -69.79 -166.55 3.32 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 22.6 mttp -70.38 132.98 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -133.58 162.76 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -88.88 142.45 27.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -41.72 -26.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 55.55 52.78 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 34' ' ' THR . 6.9 tpm_? -111.43 151.0 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.907 HG22 ' O ' ' A' ' 14' ' ' LEU . 7.0 p -149.03 161.8 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 62.9 m-85 -152.15 171.03 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.5 p -95.23 -39.43 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.484 ' O ' HD11 ' A' ' 14' ' ' LEU . 1.3 p -111.45 157.24 20.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.3 tpp -58.89 -55.77 30.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -42.74 -39.0 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 30.6 mt-10 -63.38 -42.85 98.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 86' ' ' THR . 13.2 tp -68.45 -49.04 62.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.52 -54.34 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.8 m -52.3 -29.31 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 45.5 t60 -81.5 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.625 HG22 ' SG ' ' A' ' 16' ' ' CYS . 22.0 t -54.58 -21.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.02 -56.73 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.5 mtt -87.84 -49.79 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 10.1 mm-40 -70.82 4.13 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.644 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.4 -74.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 82' ' ' ILE . 54.3 t -69.18 -3.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.34 -160.19 49.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.32 -164.93 22.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.461 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' GLN . 52.1 mt-10 -83.45 -54.01 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -38.0 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -84.6 -68.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -91.18 121.27 32.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.698 ' HB3' HD23 ' A' ' 78' ' ' LEU . 22.9 m80 -108.4 106.25 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.7 t -141.58 118.09 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -88.59 118.25 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -97.4 97.03 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.35 145.77 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 3.9 tm-20 -48.53 -18.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -156.0 34.37 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 1.1 t -55.43 136.12 69.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.7 0.762 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 53.8 Cg_endo -69.75 -34.46 14.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.379 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.816 HH22 HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -67.4 -4.99 12.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 39.43 44.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.3 75.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.4 ttpt -85.99 80.54 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' LYS . 74.9 m -34.58 133.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.604 ' CE2' ' NH2' ' A' ' 67' ' ' ARG . 52.9 m-85 -98.08 149.53 22.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 38.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -170.15 113.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HE3' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -51.65 -30.49 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 3.6 p90 -73.96 -33.99 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.694 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 11.0 mmmm -64.02 -39.39 94.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -73.28 -40.36 64.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.4 t -61.18 -56.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.25 -35.8 67.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -57.0 -43.21 81.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 50' ' ' VAL . 2.8 mt -56.24 -18.04 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 4.8 mmt85 -69.69 -27.48 65.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.1 m -78.4 -22.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.793 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -69.17 -8.39 45.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.702 HG22 HD21 ' A' ' 41' ' ' LEU . 20.6 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.674 0.75 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.89 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 43.4 t -90.77 136.71 27.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.669 0.747 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.476 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.92 2.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.8 t80 -99.56 134.36 21.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.5 Cg_endo -69.71 -54.07 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.44 45.02 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 22.8 t -134.52 -48.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.96 22.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 tptm -95.81 153.62 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.89 HG23 ' HA ' ' A' ' 92' ' ' PRO . 6.1 mt -144.22 158.27 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -141.63 132.17 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.24 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -110.11 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -55.72 -60.15 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 107' ' ' ASN . 18.8 pt-20 -48.54 -41.07 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 2.5 m120 -55.44 -35.45 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -76.73 -42.25 41.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -64.02 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.49 -32.11 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 28.0 t60 -75.9 -46.65 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.2 mtpm? -55.21 -33.29 62.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.06 138.06 54.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.89 110.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.407 ' CG ' ' HD2' ' A' ' 138' ' ' ARG . 13.8 mt-10 -48.8 -19.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.79 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -73.95 112.65 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 154.94 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.2 3.22 23.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.4 t -102.18 152.92 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.466 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 12.0 t70 -123.76 106.01 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.466 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 17.8 mmt180 -154.19 -173.91 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -153.04 128.49 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 63.0 m-85 -130.0 146.43 51.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -101.16 -13.27 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -140.1 150.05 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 28.2 p -62.18 -33.79 75.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.6 t -60.54 -54.85 40.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.41 -46.27 83.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.438 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 6.6 ttp180 -54.75 -41.2 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -76.51 -14.96 59.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 17.9 mttm -81.67 -25.0 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 34.9 t60 -82.61 -0.33 46.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -87.75 -20.17 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER -57.6 -20.24 31.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.401 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.74 -19.22 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.79 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 p -167.37 146.48 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -151.46 158.03 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.24 58.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 m 41.95 44.18 2.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -60.12 128.47 36.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.02 -152.84 50.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.431 ' CD ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 tp-100 -111.69 140.33 23.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' CD ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.8 -163.66 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.64 135.03 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 105.13 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -113.5 144.32 43.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -99.11 140.38 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mt -117.98 167.83 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 t -156.51 130.17 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.38 96.67 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -76.96 98.55 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 12.8 t-105 -107.35 112.81 25.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.487 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 2.7 mt -109.98 99.0 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.84 124.08 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.07 -27.94 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.53 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' NE2' ' HD2' ' A' ' 28' ' ' LYS . 9.7 pt20 -63.05 130.97 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.09 7.1 46.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.434 ' C ' ' HD3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.03 126.54 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -122.52 157.22 59.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.77 150.65 90.51 Favored 'Cis proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.354 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HE2' ' CG2' ' A' ' 19' ' ' ILE . 4.3 mmmm -32.92 125.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.91 157.82 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.05 163.48 15.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -70.86 107.34 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -85.58 110.31 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -172.55 167.51 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.575 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 7.7 p -148.56 167.5 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -146.44 157.5 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -94.43 -21.32 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.4 p -133.77 163.81 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 tpp -69.09 -54.32 15.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -43.42 -49.72 7.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.23 -37.12 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 45' ' ' VAL . 8.6 tp -73.64 -25.47 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.46 -58.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.1 m -51.32 -30.48 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.9 t60 -81.9 -62.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.761 ' CG1' HG21 ' A' ' 82' ' ' ILE . 71.2 t -54.21 -21.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.9 m -93.09 -56.62 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.1 mmm -87.98 -49.98 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 6.3 mm-40 -70.26 2.93 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.41 -71.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 82' ' ' ILE . 2.3 t -70.48 -11.34 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 82.18 178.1 52.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.25 -170.95 41.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.24 3.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.59 -33.13 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -71.81 130.59 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -78.13 -74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -80.79 99.99 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 1.1 p-80 -105.62 126.56 52.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.58 129.08 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -97.19 118.29 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -103.97 97.19 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.601 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.49 145.82 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -44.21 -21.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 62' ' ' TRP . 3.7 pt-20 -159.31 32.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.502 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.67 134.24 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.81 36.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -88.38 -23.68 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 74.95 24.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 60.94 2.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -109.45 150.36 28.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -90.19 156.1 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 77.5 m-85 -109.83 -177.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -108.73 18.86 20.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 76' ' ' TYR . . . -175.52 157.12 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -66.65 -51.59 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 34.8 p90 -55.04 -26.98 41.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 76' ' ' TYR . 14.8 mmtp -66.7 -40.94 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 9.8 tp -76.03 -50.81 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.35 -35.26 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 1.3 t30 -73.1 -29.7 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.7 t60 -65.08 -53.99 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.761 HG21 ' CG1' ' A' ' 45' ' ' VAL . 2.2 mt -49.38 -18.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 42.4 mmm-85 -55.7 -26.95 47.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 81' ' ' HIS . 6.6 m -82.63 -20.31 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.601 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.42 -11.89 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.3 p -83.24 -62.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.12 56.24 3.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.84 132.93 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -135.0 153.97 78.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -51.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.46 133.54 6.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.964 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.2 t -98.2 135.88 21.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' HB1' ' A' ' 133' ' ' ALA . 54.1 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -100.4 132.11 22.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.76 -53.81 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.48 38.6 2.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.2 t -132.73 -42.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.98 21.78 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 12.6 tptm -85.81 152.02 23.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.964 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.2 mt -140.09 144.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -128.32 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.26 1.74 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -123.84 145.93 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.9 t -74.87 -37.72 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.31 -31.83 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.27 -46.51 76.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 92' ' ' PRO . 11.6 tp -66.73 -49.95 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -58.97 -38.65 79.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 86.9 mt -78.11 -28.66 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.955 ' O ' HG22 ' A' ' 114' ' ' THR . 8.8 t60 -81.93 -22.23 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.7 mtpm? -73.01 -26.96 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.8 ptm180 -79.2 -20.92 47.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 111' ' ' HIS . 8.4 t -82.45 0.01 44.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -83.76 -67.36 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.2 m -175.73 158.5 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.526 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . -71.49 -46.04 42.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 116' ' ' THR . 63.1 tt0 -90.9 157.94 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 132' ' ' PHE . 51.3 mttt -89.03 153.93 49.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.61 5.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.36 103.75 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -106.6 132.19 52.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 47.9 t -38.41 126.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.63 -11.85 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.3 t80 -71.76 119.24 15.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.73 148.03 52.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.26 9.19 63.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 7.6 t -108.24 147.29 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -120.13 105.96 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -151.02 -177.79 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 119' ' ' LYS . 33.5 ptt-85 -157.21 136.42 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.477 ' N ' ' HD2' ' A' ' 119' ' ' LYS . 12.5 m-85 -147.44 160.59 42.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 94' ' ' PRO . . . -116.26 -16.42 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -128.09 128.99 45.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 t -48.2 -20.77 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 66.8 m -66.98 -53.76 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -54.05 -53.34 54.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -52.05 -57.14 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -56.09 -22.7 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 16.1 mtpp -84.18 -21.46 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.4 t60 -84.69 -1.57 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.69 -23.17 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER -54.92 -20.13 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.4 -12.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.638 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.8 m-70 -79.91 -31.9 40.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 145' ' ' HIS . 0.0 OUTLIER -34.7 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 145' ' ' HIS . 2.7 m -110.82 167.56 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -123.07 176.05 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -128.44 127.3 42.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.7 t -111.16 105.42 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.37 -89.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 107.43 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -60.93 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 m -79.94 94.69 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -137.98 117.46 12.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 p -160.64 114.54 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 -173.09 13.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -47.89 143.08 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -161.43 147.49 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.9 89.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -93.63 145.91 30.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -164.09 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -92.04 129.34 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -83.03 131.41 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' NE2' HD21 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -85.87 143.85 28.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -90.85 145.02 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 38' ' ' MET . 8.0 mt -120.21 166.58 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p -138.36 128.12 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 t -113.81 95.11 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -89.76 98.97 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.744 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 12.3 t-105 -107.25 116.31 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 63' ' ' GLU . 2.7 mt -112.87 105.37 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 123.08 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -25.66 67.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.11 33.73 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 16.9 pt20 -76.14 129.65 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.59 6.72 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 t -111.59 153.49 26.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 7.1 mmm-85 -150.9 148.44 23.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.8 169.7 62.24 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 0.1 OUTLIER -46.71 108.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 152.72 22.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -102.02 146.49 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.99 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -77.9 110.85 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -169.02 166.52 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.434 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 17.3 p -145.72 169.8 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' THR . 10.2 m-85 -149.84 167.93 25.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.401 ' OG ' HG23 ' A' ' 37' ' ' THR . 52.4 p -99.68 -41.16 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.401 HG23 ' OG ' ' A' ' 36' ' ' SER . 5.2 p -120.17 164.03 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.54 ' HA ' HD11 ' A' ' 14' ' ' LEU . 21.9 tpp -63.99 -48.55 76.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -51.9 -38.63 56.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -62.7 -35.91 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.21 -57.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.8 m -50.35 -27.62 6.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.1 t60 -83.03 -62.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG12 HD13 ' A' ' 82' ' ' ILE . 37.4 t -54.2 -21.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.5 m -93.08 -56.26 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.6 mtt -88.15 -49.85 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 43.8 mm-40 -70.65 3.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.47 -73.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.5 t -69.93 -2.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.11 -153.77 47.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.2 -161.07 13.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.53 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.01 -13.2 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 55' ' ' GLN . 4.5 mm100 -73.42 141.89 46.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.28 -76.69 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -87.4 112.13 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.757 ' HB3' HD23 ' A' ' 78' ' ' LEU . 25.4 m80 -99.78 105.78 17.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 69' ' ' GLY . 37.0 t -136.46 138.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.73 114.88 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.21 97.14 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.74 145.55 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 19' ' ' ILE . 25.1 tt0 -45.39 -20.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 62' ' ' TRP . 18.4 pm0 -158.74 33.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.3 t -47.01 134.09 8.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.06 35.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.25 -24.73 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 70.49 28.45 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 59' ' ' VAL . . . 97.21 -27.6 17.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.28 104.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p -70.03 -176.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.481 ' CD2' ' HB3' ' A' ' 77' ' ' LYS . 4.4 m-85 -118.16 -177.49 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.03 20.15 18.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.741 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -167.16 163.95 15.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -70.96 -53.85 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.506 ' CE1' ' CB ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -55.07 -27.97 48.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.741 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -63.13 -40.51 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 58' ' ' HIS . 12.0 tp -80.28 -44.61 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.11 -39.4 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -73.47 -23.09 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.33 -51.72 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.72 HD13 HG12 ' A' ' 45' ' ' VAL . 2.9 mt -50.03 -19.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.502 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 1.1 mmp_? -57.19 -21.76 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.91 -12.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.573 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 7.2 m-70 -89.31 -15.66 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.438 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 54.7 p -85.59 -77.61 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.43 -29.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.82 153.88 42.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HE3' ' N ' ' A' ' 103' ' ' ALA . 6.8 mmmt -96.27 154.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -156.3 141.28 12.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.931 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.7 t -92.7 136.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.76 3.48 2.75 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.0 t80 -96.02 133.23 25.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.76 -53.83 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.608 2.206 . . . . 0.0 112.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.79 43.98 3.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.8 t -134.61 -58.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.42 27.65 68.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 20.5 tptt -95.04 152.32 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.931 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.1 mt -140.13 143.1 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -127.89 129.25 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.441 ' N ' ' HE3' ' A' ' 89' ' ' LYS . . . -67.59 -3.02 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -123.19 131.26 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -59.09 -47.91 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -55.21 -36.26 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -66.12 -37.5 85.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.49 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.4 tp -70.65 -51.56 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 41.9 pttt -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 53.6 mt -67.06 -28.81 44.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.907 ' O ' HG22 ' A' ' 114' ' ' THR . 40.5 t60 -81.49 -24.22 36.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 5.5 mtpm? -78.02 -35.97 49.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 11.5 ptp180 -62.88 -23.7 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.907 HG22 ' O ' ' A' ' 111' ' ' HIS . 7.5 t -82.38 -22.49 35.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -64.29 -6.95 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.626 HG22 ' N ' ' A' ' 117' ' ' GLY . 49.4 m -56.31 165.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.626 ' N ' HG22 ' A' ' 116' ' ' THR . . . 120.43 -85.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.59 143.7 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' CE ' ' HB2' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -99.94 143.88 27.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.837 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -42.09 3.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -117.47 128.94 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.438 ' HB2' ' CE ' ' A' ' 119' ' ' LYS . 41.5 tttp -122.63 138.0 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -47.67 127.16 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.84 -11.06 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.03 122.69 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 127' ' ' GLY . 37.4 tt0 -62.57 158.55 17.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 126' ' ' GLU . . . 57.33 15.36 15.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.04 141.57 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -123.02 107.33 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -145.31 175.0 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -149.68 118.85 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 68.5 m-85 -123.74 154.36 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.48 -16.47 16.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.545 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -132.98 142.39 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -55.09 -36.19 65.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.3 m -55.83 -55.3 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.06 -52.68 40.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 9.5 ttp180 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -60.38 -38.17 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -62.9 -19.53 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.6 t60 -86.78 -0.64 56.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.89 -21.81 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -54.82 -20.87 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.597 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 -78.04 -39.06 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -67.77 -59.31 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.7 p -63.07 150.65 42.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -169.53 139.42 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.89 167.61 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.3 t -81.2 167.73 19.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 152' ' ' PRO . . . 88.81 51.62 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 151' ' ' GLY . 53.3 Cg_endo -69.8 155.98 64.4 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 155' ' ' GLY . 47.9 t -95.82 107.37 19.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 153' ' ' SER . 68.0 m -36.17 95.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 153' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -127.3 144.88 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -76.54 116.59 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.07 160.61 23.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -77.57 178.67 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -130.32 112.5 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.49 -176.23 19.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -93.43 148.61 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 141.52 45.45 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.76 2.307 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 mt -106.69 140.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -97.47 103.23 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -103.14 144.99 30.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.56 116.62 32.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.686 ' O ' HG22 ' A' ' 34' ' ' THR . 5.3 mt -106.32 167.94 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.9 m -143.6 144.33 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 102.06 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -92.63 99.0 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.55 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.01 108.54 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.43 HG22 ' NZ ' ' A' ' 28' ' ' LYS . 6.1 mt -110.96 103.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.45 -72.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 41.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 5.0 pt20 -59.87 156.61 13.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 24' ' ' LEU . 7.0 tp -83.76 -5.29 59.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -103.82 154.32 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.9 tpt180 -152.98 140.11 12.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.74 172.39 49.14 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.377 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' NZ ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -47.16 108.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 165.31 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.8 p -112.75 148.58 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 138.96 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -104.76 122.31 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.91 165.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -145.83 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 34' ' ' THR . 1.1 m-85 -152.81 164.2 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.0 p -96.82 -31.38 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 p -125.28 158.51 33.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.48 ' SD ' HG21 ' A' ' 86' ' ' THR . 22.9 tpp -58.49 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -47.61 -40.12 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.52 -39.6 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 11.8 tp -71.66 -47.93 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -56.66 -54.22 31.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.0 m -47.95 -28.3 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.4 t60 -82.89 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.595 HG12 HD13 ' A' ' 82' ' ' ILE . 20.7 t -54.19 -21.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.4 m -92.92 -56.46 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.7 mtt -87.9 -49.91 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 35.8 mm-40 -70.68 3.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.55 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.9 m-70 -142.88 -73.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.9 t -69.97 -2.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.36 -165.27 46.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.3 -166.63 27.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -3.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -80.4 -20.94 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -75.63 155.02 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -67.99 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -82.38 109.36 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.836 ' HB3' HD23 ' A' ' 78' ' ' LEU . 31.8 m80 -102.34 110.44 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.73 134.31 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.504 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 117.38 32.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -102.45 97.21 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 4.9 t-105 -90.73 145.22 24.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 19' ' ' ILE . 5.4 tm-20 -43.14 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -158.79 33.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.49 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -44.2 134.06 4.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -87.23 -18.02 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 69.64 31.81 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.13 58.27 9.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -103.86 115.03 29.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -47.05 170.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.26 179.59 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -82.89 -22.58 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.956 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -144.84 172.5 12.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.059 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 1.5 tmtm? -70.72 -48.88 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 48.3 p90 -62.52 -24.09 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.956 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 12.4 mmmm -60.34 -40.41 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.836 HD23 ' HB3' ' A' ' 58' ' ' HIS . 6.2 tp -78.14 -41.92 33.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.0 t -51.7 -37.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 95.0 m-20 -70.65 -36.63 73.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.8 t60 -58.93 -47.36 85.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.595 HD13 HG12 ' A' ' 45' ' ' VAL . 3.2 mt -55.06 -17.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 14.1 mmm180 -67.74 -23.04 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 81' ' ' HIS . 2.8 m -83.3 -20.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.49 -9.66 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.48 HG21 ' SD ' ' A' ' 38' ' ' MET . 2.3 p -98.0 -54.07 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.88 69.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -107.91 116.19 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.73 147.31 43.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.566 0.698 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -156.15 142.52 13.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.887 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.83 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.8 135.82 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -99.15 132.46 23.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.3 Cg_endo -69.79 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.36 39.91 2.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.2 t -133.76 -44.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.27 29.28 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -93.32 151.33 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.887 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.0 mt -141.15 142.28 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -127.64 136.36 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 -14.96 61.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -109.98 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -61.9 -48.98 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -57.19 -28.93 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -55.3 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.581 HD23 ' CD1' ' A' ' 91' ' ' PHE . 15.6 tp -56.9 -56.08 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.541 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 7.9 ptmt -48.52 -50.27 32.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.541 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 82.0 mt -63.01 -31.85 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.902 ' O ' HG22 ' A' ' 114' ' ' THR . 9.6 t60 -81.96 -19.94 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.479 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 11.6 mtpt -75.6 -30.03 59.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 10.1 ptm180 -72.43 -32.32 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 111' ' ' HIS . 12.6 t -68.37 -12.86 61.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -77.35 52.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -120.36 143.82 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 144.7 -86.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -115.11 146.08 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' CE ' ' HB2' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -91.9 144.63 29.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.52 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 62.0 m-85 -78.96 104.22 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.9 136.5 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.77 114.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.26 -14.07 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.2 t80 -71.25 119.9 16.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.46 150.94 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.56 9.2 58.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.51 150.49 28.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.19 106.92 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.467 ' NE ' ' CE1' ' A' ' 141' ' ' HIS . 26.0 mmt180 -142.53 -178.69 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.479 ' HB2' ' CE ' ' A' ' 119' ' ' LYS . 2.0 ptm180 -164.3 118.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 130' ' ' ARG . 7.9 m-85 -138.06 155.52 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -104.91 -10.52 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.509 HD22 ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -134.94 138.62 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 1.3 t -54.59 -47.32 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.9 m -44.56 -39.44 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.49 -45.28 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -57.83 -48.78 78.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -65.41 -20.02 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.22 -20.54 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.0 t60 -86.74 -0.44 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 mmt -88.01 -22.35 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -54.82 -20.02 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.87 -15.29 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.1 m-70 -78.55 -18.73 54.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 162.59 13.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.8 t -91.5 84.59 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' SER . 28.6 m-20 -151.62 165.78 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -41.86 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 148' ' ' ASP . 16.6 m -41.34 -56.87 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 156.64 163.2 12.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -30.95 21.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.0 t -137.48 158.13 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 96.7 p -52.18 122.29 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.497 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -159.06 117.14 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -153.96 134.25 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 129.55 -135.78 8.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 m -36.21 -58.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 m -56.75 175.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.62 -172.7 12.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -88.75 146.21 36.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.75 24.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.33 107.57 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.3 142.72 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -102.42 115.1 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -84.59 127.85 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 37' ' ' THR . 56.2 mt -92.01 159.8 15.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.4 p -128.51 127.33 42.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 45' ' ' VAL . 7.4 t -123.97 103.32 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.34 98.74 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 6.8 t-105 -107.15 125.64 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 63' ' ' GLU . 3.6 mt -124.11 110.02 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.76 139.13 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 8.8 mt-10 -76.83 -30.03 56.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.55 27.02 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG2' ' HZ2' ' A' ' 28' ' ' LYS . 13.1 pt20 -79.88 135.66 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.9 2.98 40.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 124.65 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -134.48 148.08 66.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 141.66 66.65 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.329 -0.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' PRO . 27.8 mttm -33.36 114.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.9 -178.01 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -115.44 142.74 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.47 176.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.36 115.67 12.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' THR . 7.7 tpm_? -173.36 153.21 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t -155.99 161.02 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 40' ' ' GLU . 37.2 m-85 -153.01 170.83 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -85.87 -40.6 15.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' HD11 ' A' ' 14' ' ' LEU . 7.6 p -115.19 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.551 ' SD ' HD23 ' A' ' 41' ' ' LEU . 23.2 tpp -64.26 -55.28 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -42.08 -34.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 35.3 mm-40 -67.53 -42.53 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 ' SD ' ' A' ' 38' ' ' MET . 9.8 tp -67.54 -44.29 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -51.47 -50.93 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.6 m -51.42 -28.27 12.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 36.1 t60 -82.98 -62.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.704 HG11 ' CG2' ' A' ' 82' ' ' ILE . 19.3 t -54.06 -21.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -92.98 -56.5 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -88.03 -49.72 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 57.9 mm-40 -70.74 3.62 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.698 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.5 m-70 -142.99 -74.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 50' ' ' VAL . 53.2 t -69.07 -2.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 64.1 -152.86 48.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.34 -166.72 22.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -12.13 32.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.9 tp10 -90.86 -4.16 56.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' ASN . 1.9 tt0 -66.93 111.77 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 p-10 -35.65 -77.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.417 HD22 HG23 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -107.8 131.14 54.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.56 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -108.38 106.38 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG23 HD22 ' A' ' 57' ' ' ASN . 49.7 t -139.29 127.26 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -94.97 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 44.1 m-85 -101.58 96.99 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.771 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.95 145.02 25.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 19' ' ' ILE . 1.4 tm-20 -43.24 -25.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' OE1' ' CD ' ' A' ' 63' ' ' GLU . 13.9 pm0 -154.5 31.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.498 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -42.82 134.13 2.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -23.16 31.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.611 2.207 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.1 mtp85 -87.07 -18.96 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 71.16 32.49 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.1 53.41 33.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 107.42 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -50.43 148.65 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 8.1 m-85 -101.35 -179.63 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -98.16 20.23 12.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.775 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -174.01 178.14 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' CD ' ' ND1' ' A' ' 58' ' ' HIS . 2.2 mmmp? -86.75 -47.09 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 77' ' ' LYS . 23.4 p90 -64.32 -24.23 67.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.775 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 14.1 mmmm -67.73 -40.3 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 13.3 tp -82.9 -49.89 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' LYS . 73.1 t -48.76 -37.73 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -69.87 -36.55 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.8 t60 -59.29 -43.53 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.704 ' CG2' HG11 ' A' ' 45' ' ' VAL . 3.0 mt -54.03 -23.96 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -64.53 -25.01 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 81' ' ' HIS . 2.5 m -77.23 -21.98 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.771 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.74 -20.39 60.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.1 p -93.11 -55.68 3.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.42 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 121.38 -11.25 9.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -70.56 143.52 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.482 ' HE3' ' N ' ' A' ' 102' ' ' PHE . 8.9 mmmt -104.69 144.14 28.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -156.14 137.28 9.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.894 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.71 -165.7 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.5 t -92.95 136.01 25.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.49 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.27 2.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.1 t80 -103.25 127.0 30.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.75 -52.93 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.36 -3.16 11.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 14.7 t -99.48 -54.39 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.97 28.46 53.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 9.2 tptm -95.4 148.95 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.894 HG23 ' HA ' ' A' ' 92' ' ' PRO . 1.7 mt -131.94 139.41 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 2.8 m-85 -124.53 149.6 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.43 -14.09 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -110.01 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m -62.87 -43.11 99.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HG2' HD12 ' A' ' 110' ' ' ILE . 28.7 tt0 -64.52 -25.0 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.68 -46.46 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.7 HD11 ' HD2' ' A' ' 112' ' ' LYS . 7.1 tp -60.0 -53.32 59.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 13.6 ptmt -53.84 -50.08 67.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 65.0 mt -64.65 -27.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.578 ' CG ' ' CZ ' ' A' ' 102' ' ' PHE . 22.0 t60 -81.87 -22.37 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.7 ' HD2' HD11 ' A' ' 108' ' ' LEU . 16.9 mtpt -84.35 -32.35 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -75.02 -15.06 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 111' ' ' HIS . 11.9 t -94.15 -10.31 33.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.77 -49.58 76.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.3 m -174.66 144.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.85 -51.24 56.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.06 158.0 17.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.09 143.89 31.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.73 29.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.437 ' CB ' ' HB2' ' A' ' 132' ' ' PHE . 90.1 m-85 -130.08 108.55 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 137.04 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.3 t -51.27 114.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.29 -3.89 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.778 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -75.04 120.62 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -63.95 150.87 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.48 15.78 57.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.48 137.5 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 1.9 p30 -116.15 105.99 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 12.2 mmt180 -153.44 -175.17 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -156.89 151.73 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 28.2 m-85 -150.11 163.99 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' C ' ' CD2' ' A' ' 121' ' ' PHE . . . -117.13 -15.61 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.43 129.42 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -41.9 -35.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -55.73 -46.59 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.47 -46.05 77.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 10.9 ttp85 -60.1 -32.24 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.39 -22.19 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 37.7 mtpt -80.33 -20.99 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 52.4 t60 -85.02 -2.71 58.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.1 mmt -87.94 -21.32 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.94 -20.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.79 -16.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.778 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 21.6 m-70 -78.61 -33.76 47.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -50.82 -21.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 m -154.55 123.96 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.0 140.15 47.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -123.76 152.61 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.8 t -57.97 -26.99 63.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.45 166.09 33.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.86 22.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 21.4 p -99.92 108.87 21.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.4 t 56.59 39.98 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.521 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -170.92 -175.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -150.31 159.62 44.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.32 -155.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -154.85 168.45 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -104.54 84.16 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.11 -141.81 7.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.41 144.18 29.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mt -106.23 117.21 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -101.47 125.53 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -87.7 142.85 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -85.16 133.18 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 41' ' ' LEU . 13.3 mt -105.47 167.23 9.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -153.31 141.97 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -128.38 95.9 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 98.81 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 13.0 t-105 -107.17 123.53 48.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -123.86 101.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.69 136.38 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.38 -28.21 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.84 22.3 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.418 ' CD ' ' HD2' ' A' ' 28' ' ' LYS . 6.7 pt20 -81.6 136.03 35.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -89.98 -2.38 58.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 130.64 35.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 6.0 tpt180 -136.46 133.02 19.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.72 166.35 74.17 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.334 -0.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HD2' ' CD ' ' A' ' 23' ' ' GLN . 3.2 mmmm -50.88 134.58 25.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -112.43 163.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.46 147.24 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -53.06 111.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -90.4 97.29 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -149.92 162.86 39.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -146.75 151.0 36.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -145.78 167.7 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -111.0 -28.28 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -118.36 146.7 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.489 ' SD ' HD23 ' A' ' 41' ' ' LEU . 14.9 tpp -63.08 -40.34 97.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -48.32 -40.53 25.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 14' ' ' LEU . 24.8 tp -58.34 -25.65 62.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.09 -59.1 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.47 -28.94 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -82.44 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.772 ' CG1' HG21 ' A' ' 82' ' ' ILE . 85.3 t -54.1 -21.61 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 20.0 m -93.13 -56.38 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.4 mtt -88.2 -49.81 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.7 mm-40 -70.44 3.12 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.505 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 0.9 OUTLIER -140.67 -71.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 82' ' ' ILE . 2.5 t -70.51 -11.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 59.04 158.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.57 -167.68 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.53 28.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.01 -26.68 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASN . 25.3 mt-30 -79.95 93.48 5.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLN . 20.4 m-80 -35.85 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -84.1 96.44 8.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.523 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -95.2 115.02 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 t -138.0 131.88 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -93.92 119.8 33.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -104.53 97.38 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.631 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.9 t-105 -90.84 145.87 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -47.34 -19.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -157.81 32.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.3 t -47.22 134.34 9.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.48 34.55 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 12.6 mmp_? -85.82 -18.17 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 5.8 mt-10 66.85 38.74 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.87 47.47 91.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -100.4 99.89 10.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -35.46 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 46.8 m-85 -95.67 170.42 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -26.51 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -142.13 172.71 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 3.8 tmtt? -75.15 -47.24 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.478 ' CD1' ' HG2' ' A' ' 77' ' ' LYS . 5.6 p90 -60.39 -28.74 68.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.536 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 19.8 mmmt -66.42 -40.4 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 58' ' ' HIS . 11.0 tp -66.56 -37.98 86.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.64 -44.86 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -64.5 -24.33 67.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.581 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 t60 -68.83 -50.39 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.772 HG21 ' CG1' ' A' ' 45' ' ' VAL . 2.5 mt -52.37 -20.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -59.73 -22.76 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.6 m -86.11 -19.1 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.631 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.5 m-70 -74.86 -12.75 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.2 p -106.13 -55.3 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 89.73 1.84 76.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -85.03 121.45 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HZ1' ' HB2' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -121.16 144.03 38.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.472 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 53.7 Cg_endo -69.82 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.627 2.218 . . . . 0.0 112.309 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -156.25 139.84 11.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.908 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.6 Cg_endo -69.73 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.9 t -94.46 135.97 23.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.23 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.6 t80 -97.78 132.21 25.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 52.8 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.42 45.08 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 20.7 t -134.36 -46.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.38 28.4 20.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 24.3 tptt -96.44 151.54 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.908 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.4 mt -140.15 139.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -124.71 160.02 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.625 ' HB2' ' HZ1' ' A' ' 89' ' ' LYS . . . -101.22 -12.77 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -110.11 134.72 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.676 ' O ' HD12 ' A' ' 110' ' ' ILE . 61.3 mm-40 -62.96 -29.03 70.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.0 -54.35 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 91' ' ' PHE . 5.2 tp -57.57 -47.84 80.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 1.7 ptmm? -62.27 -46.92 86.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 106' ' ' GLU . 47.9 mt -69.71 -27.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.947 ' O ' HG22 ' A' ' 114' ' ' THR . 19.2 t60 -82.04 -26.05 34.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -74.6 -28.02 60.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 7.7 ptp180 -73.71 -18.89 60.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.947 HG22 ' O ' ' A' ' 111' ' ' HIS . 7.1 t -87.27 -4.92 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.442 ' CG ' ' CD2' ' A' ' 95' ' ' PHE . 7.3 m-70 -80.89 46.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -124.24 -177.13 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.99 -95.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.22 130.53 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.31 160.41 26.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.714 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.29 20.81 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.493 ' CE1' ' OG ' ' A' ' 135' ' ' SER . 97.3 m-85 -117.2 125.54 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 123' ' ' CYS . 13.9 ttmm -122.94 128.79 50.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 122' ' ' LYS . 17.8 t -36.84 124.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.54 -4.93 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.416 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -74.39 122.74 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.93 137.26 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.1 79.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -120.93 142.16 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -122.48 109.16 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -145.39 -176.54 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -153.99 121.52 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -128.19 157.5 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.92 -21.29 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.79 130.31 37.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 121' ' ' PHE . 3.4 m -43.83 -41.85 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -47.98 -55.37 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.7 -52.16 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -45.16 -43.48 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -38.52 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 0.5 OUTLIER -65.35 -19.2 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 42.0 t60 -84.82 -2.26 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.93 -21.77 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.88 -20.4 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.16 -12.29 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.8 m-70 -83.6 -7.65 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.75 -21.69 13.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 t -159.74 168.79 25.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.15 103.84 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.75 125.96 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.8 p -47.27 160.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 152' ' ' PRO . . . 170.91 -62.49 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 151' ' ' GLY . 54.1 Cg_endo -69.7 -37.6 9.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.7 p -51.78 127.01 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 m -82.27 166.46 19.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.471 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -157.42 129.86 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -122.36 174.72 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 -179.53 16.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -174.26 161.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -112.64 178.01 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.03 148.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -105.57 146.3 32.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -167.47 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.28 145.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -83.72 106.5 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -121.08 139.24 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.94 123.45 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mt -97.07 163.97 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 m -146.87 131.07 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' HB2' HD11 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -116.64 116.93 28.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -99.46 98.63 9.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.5 t-105 -107.32 125.9 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -124.02 102.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 51.0 t0 -85.73 114.85 23.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.25 -27.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -109.16 42.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -50.58 175.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -108.36 -17.65 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -130.71 156.78 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 2.4 mmt85 -132.64 156.59 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.356 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 27' ' ' PRO . 29.8 mtpt -33.96 107.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.86 157.73 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -84.2 150.74 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.0 137.24 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.06 102.56 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.5 ttt85 -170.46 161.82 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.533 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -149.48 166.77 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 34' ' ' THR . 44.5 m-85 -151.94 170.74 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 p -117.15 -26.34 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -112.21 161.17 16.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 86' ' ' THR . 6.8 tpt -65.29 -55.82 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -48.67 -36.75 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -58.32 -41.98 85.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' CD2' HG22 ' A' ' 86' ' ' THR . 57.5 tp -70.15 -57.15 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.74 -55.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.488 HG23 ' SD ' ' A' ' 47' ' ' MET . 1.2 m -54.39 -25.75 26.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.7 t60 -83.27 -62.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.725 HG11 ' CG2' ' A' ' 82' ' ' ILE . 31.3 t -54.48 -21.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLY . 21.6 m -93.4 -54.04 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 43' ' ' THR . 4.5 mtt -88.28 -51.28 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 mt-10 -70.81 4.29 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -142.31 -74.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 50' ' ' VAL . 63.3 t -69.05 -4.18 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 71.58 -163.87 54.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.38 -169.3 30.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -80.1 -28.63 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -64.69 150.57 46.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.3 t-20 -94.02 -74.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -80.48 119.55 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 1.7 m80 -109.44 112.62 24.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 t -136.9 128.31 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.581 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -103.86 116.12 31.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -101.33 97.36 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.7 t-105 -90.68 145.54 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 83.8 tt0 -46.73 -19.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' HG3' ' C ' ' A' ' 63' ' ' GLU . 55.4 mt-10 -158.07 33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.482 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 2.9 t -49.06 134.79 15.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -24.75 29.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' NE ' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 9.4 mt-10 76.42 32.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.82 38.53 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -99.55 98.75 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 p -48.69 157.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -102.49 -175.65 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -109.46 17.34 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -178.21 160.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.57 -52.03 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.6 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 54.3 p90 -54.84 -32.68 60.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.767 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.9 mmmm -62.28 -40.39 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' CD2' ' CB ' ' A' ' 58' ' ' HIS . 11.3 tp -77.43 -50.8 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.0 t -50.07 -38.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 83' ' ' ARG . 53.6 m-20 -72.69 -33.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 t60 -59.49 -44.3 93.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.725 ' CG2' HG11 ' A' ' 45' ' ' VAL . 2.2 mt -55.13 -20.55 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 20.6 mmm180 -59.66 -35.0 73.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.4 m -71.75 -22.12 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -74.83 -22.41 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 41' ' ' LEU . 67.8 p -75.65 -68.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.75 53.0 14.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.3 127.84 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.607 ' CB ' HG21 ' A' ' 101' ' ' ILE . 1.8 mmmm -125.81 155.61 72.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.08 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.711 ' HD1' HD23 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -156.17 120.44 2.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 0.0 110.919 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.707 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.7 Cg_endo -69.72 -165.42 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -93.69 134.97 25.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HG3' ' NZ ' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 -16.5 37.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.05 125.89 91.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 128.06 15.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 84.87 -5.99 80.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 34.5 t -79.9 -32.44 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.4 29.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG3' ' CZ ' ' A' ' 102' ' ' PHE . 9.5 tptm -97.57 138.63 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' A' ' 92' ' ' PRO . 7.3 mt -133.37 156.6 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 100' ' ' LYS . 1.5 m-85 -140.5 131.63 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -15.72 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -110.05 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -56.41 -52.34 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.52 -44.95 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -46.86 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.711 HD23 ' HD1' ' A' ' 91' ' ' PHE . 1.2 tp -66.34 -51.42 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -54.53 -50.15 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.54 -39.6 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' CD2' ' CZ ' ' A' ' 102' ' ' PHE . 19.3 t60 -74.88 -20.52 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' CD ' ' HG ' ' A' ' 108' ' ' LEU . 10.4 mtpp -82.24 -31.81 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.817 ' O ' HG22 ' A' ' 116' ' ' THR . 3.5 ptm85 -82.36 -33.74 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 111' ' ' HIS . 5.5 t -65.06 -22.81 67.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.77 -43.73 77.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 113' ' ' ARG . 8.8 t -40.34 160.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.53 -103.61 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -83.01 139.1 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.515 ' NZ ' ' HB2' ' A' ' 133' ' ' ALA . 14.2 mmtp -105.88 152.33 40.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -42.18 3.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 135' ' ' SER . 84.9 m-85 -98.33 119.33 36.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -119.53 129.47 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.7 t -39.04 118.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.53 -7.28 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.706 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.5 t80 -72.26 122.3 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.62 151.07 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.11 9.08 39.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.62 144.96 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -122.5 106.36 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 30.1 mmt180 -150.15 -175.62 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.441 ' HB2' ' CG ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -158.2 139.92 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -146.12 148.78 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.515 ' HB2' ' NZ ' ' A' ' 119' ' ' LYS . . . -98.04 -14.54 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.57 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -137.59 146.88 44.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.535 ' HB2' ' CE1' ' A' ' 121' ' ' PHE . 21.3 t -61.34 -26.11 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.2 t -66.0 -46.14 79.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.36 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -58.59 -53.27 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -57.4 -22.57 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -79.03 -21.24 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 46.0 t60 -86.76 -1.02 57.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.9 -20.51 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -56.09 -20.11 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.41 -15.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.706 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.4 m-70 -80.32 -24.11 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.47 164.69 25.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.4 m -84.66 -38.65 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -162.03 175.34 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 150' ' ' SER . 9.7 tptm -154.52 147.42 24.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 149' ' ' LYS . 17.9 m -122.91 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.76 150.47 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.53 6.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.3 m -52.06 112.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.1 p -91.5 -16.73 26.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -149.87 131.43 14.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -106.62 54.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.37 113.68 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.3 m -96.59 175.91 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 80.41 113.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 123.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -103.08 144.06 27.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.697 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.33 34.99 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.1 mt -118.46 143.63 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -89.41 106.23 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -99.68 145.03 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.33 134.83 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 37' ' ' THR . 7.1 mt -106.72 167.9 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -135.6 152.25 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 t -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -97.62 98.96 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.673 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 17.6 t-105 -107.26 124.92 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mt -124.0 101.04 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -78.28 135.47 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -72.91 -36.79 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.45 35.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -78.87 136.56 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.8 tt -81.57 0.12 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -98.9 132.47 44.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.556 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.4 tpp85 -139.84 140.43 24.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 164.02 80.31 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.325 -0.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -46.43 133.57 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.07 168.88 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 p -112.91 134.07 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -44.82 137.71 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -107.95 105.12 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -161.27 156.22 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 p -146.68 159.69 43.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -149.37 169.78 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -92.23 -47.15 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' HD11 ' A' ' 14' ' ' LEU . 1.3 p -113.26 163.06 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.6 ' SD ' HG21 ' A' ' 86' ' ' THR . 16.4 tpp -59.76 -53.86 53.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.98 -41.5 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.43 -46.61 89.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.02 -49.75 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.55 -53.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.1 m -50.84 -29.6 12.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.5 t60 -82.31 -62.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.509 HG11 ' CG2' ' A' ' 82' ' ' ILE . 17.7 t -53.8 -21.98 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.7 m -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.15 -50.1 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.8 mm-40 -70.64 3.02 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.2 m-70 -141.82 -73.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.766 HG21 HD11 ' A' ' 82' ' ' ILE . 54.4 t -69.69 -2.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.44 175.22 17.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.44 31.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.533 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.32 6.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -115.66 56.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -123.98 131.1 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -51.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -113.32 131.44 55.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.683 ' HB3' HD23 ' A' ' 78' ' ' LEU . 9.7 m80 -103.67 107.1 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.3 127.16 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -101.71 118.0 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -102.61 97.2 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.594 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 7.1 t-105 -90.57 145.55 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -44.08 -21.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 62' ' ' TRP . 43.5 mt-10 -158.66 33.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.9 t -45.33 134.03 5.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.31 36.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -89.95 -11.88 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 65.0 40.67 5.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.91 60.4 9.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 128.82 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.7 p -58.01 177.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -126.39 179.27 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -77.67 -23.36 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.772 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -148.92 173.88 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HD3' ' CD2' ' A' ' 58' ' ' HIS . 9.9 tptp -69.55 -57.19 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' A' ' 77' ' ' LYS . 20.4 p90 -55.32 -17.41 4.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.772 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 1.1 mmmp? -72.15 -39.28 68.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.683 HD23 ' HB3' ' A' ' 58' ' ' HIS . 5.0 tp -78.52 -40.9 33.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.53 -46.53 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -60.9 -37.98 84.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.521 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.6 t60 -58.14 -48.89 78.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.766 HD11 HG21 ' A' ' 50' ' ' VAL . 3.9 mt -52.64 -25.55 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -63.25 -28.08 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 81' ' ' HIS . 1.4 m -76.22 -20.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.594 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -71.35 -9.29 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.6 HG21 ' SD ' ' A' ' 38' ' ' MET . 2.5 p -92.79 -55.86 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 94.93 15.86 43.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.481 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -107.56 114.06 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.602 ' HD2' ' HB2' ' A' ' 103' ' ' ALA . 8.5 mmmt -133.82 147.74 65.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 53.5 Cg_endo -69.83 -51.73 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.274 . . . . 0.0 112.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.27 143.29 13.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.973 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.82 135.91 22.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.403 ' HG3' ' CE ' ' A' ' 112' ' ' LYS . 54.3 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -95.43 132.92 26.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.78 -53.91 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 41.97 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 17.4 t -134.66 -55.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 28.07 56.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.596 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 31.4 tptt -94.35 148.96 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.973 HG23 ' HA ' ' A' ' 92' ' ' PRO . 1.9 mt -134.54 146.29 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.596 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -130.52 125.77 35.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.602 ' HB2' ' HD2' ' A' ' 89' ' ' LYS . . . -67.82 -15.38 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 106' ' ' GLU . 5.0 ttt180 -109.93 131.07 55.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.0 p -55.05 -60.59 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 104' ' ' ARG . 10.2 mm-40 -47.87 -39.82 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 104' ' ' ARG . 76.6 m-20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.7 tp -75.1 -49.17 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -64.01 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.4 mt -76.5 -30.64 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.751 ' HA ' HG22 ' A' ' 114' ' ' THR . 12.0 t60 -79.02 -54.79 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.731 ' O ' HG23 ' A' ' 116' ' ' THR . 16.8 mtpt -47.35 -30.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -83.16 -29.07 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 111' ' ' HIS . 2.5 t -101.08 1.08 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -124.26 -2.37 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -70.69 -53.75 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' THR . . . 37.67 -130.94 1.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -81.04 158.1 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -89.08 156.08 49.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 86.9 m-85 -87.59 95.72 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -109.45 137.85 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 51.7 t -40.63 118.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.33 -9.27 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.16 126.83 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -66.2 156.06 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.15 6.45 13.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.31 143.03 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.59 107.06 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -146.85 170.21 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 137.42 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' PHE . 20.4 m-85 -147.83 159.75 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -112.16 -21.27 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -129.47 134.12 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.7 t -48.98 -31.97 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.6 m -58.97 -40.5 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -72.95 -40.56 65.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -64.06 -45.16 89.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -22.0 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -77.78 -18.94 55.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -86.42 0.04 54.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.95 -20.53 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -56.23 -20.16 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.95 -12.47 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.665 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.9 m-70 -81.59 -39.15 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 p -123.1 112.86 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.7 p -108.06 87.13 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.44 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -116.84 151.4 36.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -57.54 155.57 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.72 153.63 30.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.7 m -165.25 136.01 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 t -48.41 -62.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -142.59 163.44 32.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -161.25 158.67 27.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.28 164.8 14.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -143.16 157.63 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -133.31 -178.09 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.99 111.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -103.37 145.16 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -165.96 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -93.17 140.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -86.79 103.58 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -116.99 138.48 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.52 127.81 34.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 38' ' ' MET . 11.3 mt -95.97 163.41 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -144.67 140.62 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 101.86 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 98.99 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 17.2 t-105 -107.16 123.96 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -123.91 100.28 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 23' ' ' GLN . 4.0 t0 -71.94 136.88 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 2.5 mt-10 -74.97 -33.38 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.25 39.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.473 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 10.6 pt20 -76.77 147.15 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -91.8 4.74 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.49 132.79 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.539 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 1.2 tmm_? -134.95 137.35 27.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.72 173.64 43.65 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HD3' ' NE2' ' A' ' 23' ' ' GLN . 36.9 mmtt -54.9 118.36 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -105.56 161.01 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -109.06 145.73 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.55 120.9 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -92.03 100.45 13.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' A' ' 44' ' ' HIS . 11.0 mmp_? -143.14 164.25 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -153.54 148.26 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 68.0 m-85 -144.76 156.53 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -96.95 -24.12 15.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.3 p -123.23 156.24 35.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 22.7 tpp -61.37 -55.97 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -44.81 -44.0 9.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 8.0 mm-40 -54.92 -48.23 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 25.4 tp -61.81 -52.09 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -54.04 -52.89 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -27.75 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.4 t60 -83.07 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 82' ' ' ILE . 15.6 t -54.16 -21.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.6 m -92.98 -56.61 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -87.77 -49.84 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.535 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 5.9 mm-40 -70.76 3.88 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.748 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.3 m-70 -143.06 -73.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 50' ' ' VAL . 55.6 t -69.65 -2.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 63.92 -159.83 39.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.99 -162.47 24.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.21 34.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.61 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.89 149.51 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -94.66 -70.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -83.7 114.83 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.796 ' HB3' HD23 ' A' ' 78' ' ' LEU . 26.2 m80 -107.3 106.42 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.14 133.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.576 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.94 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.548 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 37.4 m-85 -100.9 97.34 7.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.709 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.3 t-105 -90.48 145.46 24.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.32 -22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' TRP . 21.2 pt-20 -159.63 32.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.8 t -42.81 134.03 2.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -14.95 36.66 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 5.7 mmp_? -90.31 -33.85 15.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 74.02 40.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' SER . . . 87.14 -23.21 11.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLY . 4.8 tmtm? -38.05 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLY . 37.2 t -59.59 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.7 m-85 -136.04 13.87 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm 44.69 24.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.589 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -152.29 168.03 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -92.71 -58.69 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.646 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 39.5 p90 -59.95 -12.33 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.646 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.9 mmmt -83.87 -40.98 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 58' ' ' HIS . 10.0 tp -82.16 -39.98 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.07 -45.61 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -27.44 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.8 t60 -66.67 -48.07 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.678 HD13 HG12 ' A' ' 45' ' ' VAL . 2.5 mt -51.93 -23.08 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -57.07 -32.02 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.4 m -74.56 -23.75 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.709 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -70.86 -13.46 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 11.9 p -86.89 -62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 47.62 55.38 9.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -72.4 116.34 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.599 ' CB ' HG21 ' A' ' 101' ' ' ILE . 21.2 mmmt -136.03 152.62 75.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.435 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 53.5 Cg_endo -69.76 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -156.15 120.41 2.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.763 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.9 Cg_endo -69.83 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.356 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.08 135.23 30.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -21.17 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CB ' ' NE2' ' A' ' 115' ' ' HIS . 2.1 t80 -67.96 127.79 93.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.42 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.62 -5.16 85.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 100' ' ' LYS . 37.3 t -80.06 -32.24 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 37.67 27.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 20.1 tptt -94.67 141.27 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.763 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.5 mt -134.94 152.56 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.2 m-85 -138.06 121.71 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.56 -11.59 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -110.09 131.09 55.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -63.29 -36.84 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.598 ' HG2' HD12 ' A' ' 110' ' ' ILE . 23.5 tt0 -71.3 -28.05 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.48 -39.96 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.99 -52.77 54.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 10.8 ptmt -59.33 -45.29 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.598 HD12 ' HG2' ' A' ' 106' ' ' GLU . 69.8 mt -66.98 -25.62 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.776 ' HA ' HG22 ' A' ' 114' ' ' THR . 4.5 t60 -79.91 -55.84 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 116' ' ' THR . 5.6 mtpm? -44.95 -36.9 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -77.15 -27.77 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.776 HG22 ' HA ' ' A' ' 111' ' ' HIS . 1.6 t -101.51 1.32 37.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.599 ' CG ' ' CE1' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -125.11 -53.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -61.17 -19.83 62.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.1 -25.75 72.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -107.18 158.35 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -91.04 155.23 45.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.33 37.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.226 . . . . 0.0 112.327 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -130.55 99.27 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 123' ' ' CYS . 24.2 ttpt -112.99 136.01 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' LYS . 41.3 t -35.36 111.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.29 -8.62 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.485 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -72.17 130.57 41.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.59 4.78 81.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.0 t -109.33 144.09 37.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -123.32 108.02 12.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -147.66 -179.39 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -147.43 133.9 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.03 160.26 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.36 -9.24 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.02 132.59 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 t -49.01 -32.04 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -60.47 -54.6 43.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.8 -42.39 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -62.29 -49.79 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.45 -23.04 66.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 5.8 mtpm? -78.58 -18.68 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.6 t60 -85.53 -2.28 57.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.75 -22.0 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.88 -20.92 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.6 -14.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.485 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 18.2 m-70 -79.55 -0.48 33.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -53.57 -52.27 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.2 t -129.57 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.45 132.09 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -65.1 -9.79 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 p -89.75 172.23 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.81 75.68 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.63 65.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 t -146.96 152.31 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 t -75.08 133.73 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.487 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -170.93 140.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -107.62 159.96 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.07 156.58 22.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -119.37 115.99 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -55.52 173.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 154.16 24.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.26 142.68 26.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -98.8 134.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -87.88 116.2 25.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -100.12 140.1 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -90.61 127.38 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -101.97 166.41 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -134.16 138.38 45.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.91 97.51 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -89.17 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 10.3 t-105 -107.17 126.3 52.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.575 HD12 ' CD ' ' A' ' 63' ' ' GLU . 1.8 mt -123.57 103.79 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.85 128.82 34.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 5.4 mt-10 -65.69 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.46 26.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.59 129.56 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.01 -6.13 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -80.49 132.22 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 10.8 tpt85 -138.08 132.63 17.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 176.52 32.27 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.352 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.5 118.3 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -109.83 146.37 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 p -90.26 144.7 25.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 150.44 22.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.55 135.64 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -172.83 161.18 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.5 p -137.32 151.0 48.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -148.59 158.71 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -87.55 -38.47 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -124.76 164.35 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.561 ' SD ' HG21 ' A' ' 86' ' ' THR . 20.9 tpp -59.51 -54.43 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -55.63 -43.37 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 45' ' ' VAL . 10.8 tp -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.79 -51.81 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.4 m -50.04 -29.08 8.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.8 t60 -82.77 -62.79 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.632 ' CG1' HG21 ' A' ' 82' ' ' ILE . 17.0 t -53.9 -21.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' GLY . 10.2 m -93.11 -56.87 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.6 mtt -86.94 -50.07 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 51.3 mm-40 -70.87 3.4 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.596 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.1 m-70 -142.03 -73.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.797 HG21 HD11 ' A' ' 82' ' ' ILE . 55.3 t -70.09 -2.7 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.63 -169.12 45.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.25 -162.27 34.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.46 30.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.01 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -41.66 121.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.57 -75.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.09 106.32 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.663 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -105.79 123.08 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.03 138.23 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -111.85 116.02 29.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 36.8 m-85 -102.08 97.09 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.748 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.45 145.46 24.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' CD ' HD12 ' A' ' 19' ' ' ILE . 6.1 tp10 -43.62 -21.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.6 mm-40 -159.55 34.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -45.65 133.87 6.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -20.02 35.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -89.8 -14.2 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 69.58 33.91 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.32 18.53 73.42 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -69.77 123.85 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.925 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -62.17 173.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.89 -175.62 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.81 -6.69 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -153.49 167.82 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 15.3 tppt? -70.32 -58.36 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -54.61 -22.68 14.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 mmpt? -66.61 -40.06 88.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 58' ' ' HIS . 8.3 tp -78.13 -46.37 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.88 -40.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.07 -31.34 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.465 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.9 t60 -64.34 -48.71 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.797 HD11 HG21 ' A' ' 50' ' ' VAL . 2.1 mt -55.56 -21.87 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 15.1 mmt85 -63.32 -22.1 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 81' ' ' HIS . 1.5 m -85.33 -20.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.748 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 3.3 m-70 -69.95 -12.31 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.561 HG21 ' SD ' ' A' ' 38' ' ' MET . 16.8 p -76.45 -55.76 5.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.25 -21.96 18.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.63 124.47 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.578 ' HE2' HG21 ' A' ' 101' ' ' ILE . 2.5 mppt? -130.35 152.81 80.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 54.5 Cg_endo -69.72 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.25 . . . . 0.0 112.4 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.79 ' HD1' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -156.46 137.07 9.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.913 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.7 Cg_endo -69.75 -168.64 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.98 135.35 30.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.15 33.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.2 t80 -69.16 133.6 89.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.64 40.97 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -136.01 -52.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 50.15 28.47 13.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 7.5 tptm -91.78 151.28 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.0 mt -139.82 156.15 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -138.88 153.37 48.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 83' ' ' ARG . . . -83.81 -11.96 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm-85 -111.06 138.05 47.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -70.18 -36.33 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 3.7 tt0 -71.2 -24.16 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.61 -40.78 66.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.893 HD21 ' O ' ' A' ' 92' ' ' PRO . 3.4 tp -70.13 -52.18 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -54.5 -35.67 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 106' ' ' GLU . 96.7 mt -81.48 -28.81 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.948 ' O ' HG22 ' A' ' 114' ' ' THR . 7.4 t60 -81.86 -23.08 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.95 -29.02 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.07 -24.62 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.948 HG22 ' O ' ' A' ' 111' ' ' HIS . 7.6 t -75.84 1.42 15.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' THR . 30.9 m-70 -92.25 36.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.8 m 85.65 113.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.03 -27.24 2.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -95.55 158.22 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -88.75 144.57 33.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.76 29.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.28 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 133' ' ' ALA . 94.3 m-85 -134.39 95.13 3.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -113.05 137.67 51.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.97 118.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.47 -2.64 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.406 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -72.14 130.7 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.8 139.11 48.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 75.04 17.75 80.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -119.86 144.74 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.81 106.03 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -151.23 174.0 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 142.77 22.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -148.41 163.62 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 121' ' ' PHE . . . -111.7 -21.92 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -126.67 132.56 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' A' ' 121' ' ' PHE . 1.1 t -43.98 -52.62 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -40.13 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -54.69 -47.25 73.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -67.41 -18.88 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -83.86 -18.46 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.7 t60 -86.69 0.28 54.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -88.03 -21.19 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -55.17 -21.16 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.28 -12.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.406 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 -84.25 -15.22 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.8 m -80.23 -37.15 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 149' ' ' LYS . 16.9 t -146.12 113.22 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.54 79.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 147' ' ' SER . 14.1 tptm -151.6 121.27 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.7 t -42.08 108.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.08 153.44 17.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.45 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.5 m -120.66 134.25 55.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.2 t -102.58 142.31 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -111.01 128.2 55.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -170.32 166.59 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.4 66.24 0.52 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -139.15 149.06 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -56.06 -176.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.28 106.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -104.68 152.9 39.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -167.29 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.7 mt -95.24 140.24 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -86.07 113.81 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -110.45 136.57 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.57 129.37 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.44 157.01 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -125.02 142.77 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 45' ' ' VAL . 1.3 t -129.24 100.24 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 2.8 mmmm -93.86 98.69 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.733 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.2 t-105 -107.04 123.2 47.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.842 HG23 HE22 ' A' ' 23' ' ' GLN . 3.8 mt -119.24 112.68 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 17.4 t70 -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.92 -28.63 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.39 24.44 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.842 HE22 HG23 ' A' ' 19' ' ' ILE . 1.9 pt20 -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.59 12.47 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.98 121.05 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.55 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.3 mmt-85 -123.95 148.33 56.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.84 147.37 84.67 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.337 0.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 23' ' ' GLN . 32.8 mttp -33.26 107.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.03 -177.97 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -113.55 148.92 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.32 160.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -118.1 117.88 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 20.5 tpt85 -173.84 154.56 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -140.76 156.44 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.45 154.41 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -96.71 -31.24 12.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -117.26 163.13 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.417 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 9.2 tpp -63.95 -56.05 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -43.98 -46.86 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.09 -44.16 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.674 ' CD2' HG22 ' A' ' 86' ' ' THR . 11.3 tp -62.57 -49.06 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.33 -52.71 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 m -50.11 -25.72 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.3 t60 -83.21 -62.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.649 HG11 ' CG2' ' A' ' 82' ' ' ILE . 20.9 t -54.27 -21.85 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.7 m -93.02 -56.18 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -88.18 -49.81 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 41.4 mm-40 -70.74 3.92 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.733 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.16 -74.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.637 HG21 HD11 ' A' ' 82' ' ' ILE . 54.2 t -69.24 -3.1 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.29 -161.78 50.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.491 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.21 -158.28 34.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -51.09 -24.34 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.97 103.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.43 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.57 98.77 8.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 108.66 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.625 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 14.0 t -135.83 141.27 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.53 113.73 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.625 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 5.0 m-85 -112.31 97.53 6.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.8 t-105 -91.0 146.47 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HG3' HD12 ' A' ' 19' ' ' ILE . 82.8 tt0 -37.7 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 62' ' ' TRP . 1.6 pp20? -148.32 48.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.565 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 53.0 t -84.11 136.02 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -24.67 29.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.582 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 19.9 mmm180 -67.09 -34.15 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 53.38 21.95 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.589 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 114.48 -23.58 12.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -49.1 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -59.19 -175.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 55.4 m-85 -119.06 164.09 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.59 -11.06 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -150.16 171.89 16.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -53.72 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.558 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 30.8 p90 -54.5 -30.67 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.9 mmmm -64.6 -40.96 96.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.529 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . 8.3 tp -77.71 -54.97 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.0 t -44.2 -47.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.49 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.933 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.9 t60 -61.75 -33.6 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.649 ' CG2' HG11 ' A' ' 45' ' ' VAL . 4.5 mt -63.42 -31.21 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -60.35 -15.7 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.2 m -82.57 -11.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -96.24 -12.04 25.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.674 HG22 ' CD2' ' A' ' 41' ' ' LEU . 2.3 p -77.32 -76.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.94 -0.17 3.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.64 149.41 50.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -95.85 160.28 30.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -52.21 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.66 138.69 10.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.736 . . . . 0.0 110.848 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.87 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.74 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -90.76 133.81 31.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.41 4.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -94.85 127.84 41.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.5 13.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 87.46 -4.78 85.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 100' ' ' LYS . 19.9 t -81.85 -27.26 33.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' CYS . . . 36.5 28.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.598 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 21.7 tptt -98.26 146.82 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.87 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -141.8 148.46 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -131.25 123.81 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.38 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -110.03 131.35 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 -39.9 96.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -64.19 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.46 -36.97 79.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 102' ' ' PHE . 3.3 tp -66.69 -50.97 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -55.76 -49.68 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 78.9 mt -64.39 -25.84 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.865 ' O ' HG22 ' A' ' 114' ' ' THR . 73.3 t60 -81.91 -31.35 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.6 -36.35 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 8.0 ptp180 -58.51 -36.56 74.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.865 HG22 ' O ' ' A' ' 111' ' ' HIS . 14.6 t -72.99 -23.15 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 116' ' ' THR . 5.8 m-70 -70.61 -6.61 38.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 115' ' ' HIS . 4.3 t 44.04 30.05 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 38.76 51.16 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -120.98 128.3 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -99.07 143.65 26.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.523 0.678 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.437 ' HB2' ' CD1' ' A' ' 121' ' ' PHE . 53.6 Cg_endo -69.75 -44.26 2.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 120' ' ' PRO . 51.2 m-85 -127.81 129.73 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -122.93 130.36 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.2 t -41.13 127.25 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.66 -7.18 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.4 t80 -71.11 121.32 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 140.54 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.41 22.21 74.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.555 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 12.3 t -119.86 138.19 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.405 ' C ' ' HG2' ' A' ' 130' ' ' ARG . 17.0 t70 -117.14 105.99 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 129' ' ' ASP . 16.1 mmm180 -151.76 175.15 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -143.7 138.36 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -138.25 153.53 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.22 -7.75 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER -138.28 130.46 28.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.3 p -51.94 -23.09 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.6 m -74.61 -45.11 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 10.4 m-20 -63.84 -40.51 96.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -58.59 -57.9 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.45 -19.39 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.586 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.9 mttp -81.47 -19.39 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 49.9 t60 -84.74 -1.88 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.2 mmt -87.8 -22.51 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.84 -21.33 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.91 -14.73 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.596 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.1 m-70 -79.54 -26.84 41.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 147' ' ' SER . 0.5 OUTLIER -75.43 58.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 146' ' ' THR . 0.9 OUTLIER 36.22 46.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -135.22 168.32 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -134.38 136.98 43.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 t -124.4 171.01 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -133.79 -173.33 13.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 170.27 16.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -132.5 87.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 155' ' ' GLY . 2.4 m -102.01 -55.29 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 154' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -106.01 -50.58 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -46.89 -43.89 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.42 -170.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -79.55 166.18 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -146.81 116.13 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.65 -132.73 2.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -87.33 148.9 45.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -109.29 140.33 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.58 124.32 34.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -108.29 136.64 47.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.06 133.83 34.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' O ' ' A' ' 37' ' ' THR . 10.4 mt -99.3 163.39 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -132.47 147.51 52.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 45' ' ' VAL . 3.0 t -143.53 105.36 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -100.14 98.76 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 4.4 t-105 -107.15 123.9 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mt -122.93 111.77 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -88.71 138.12 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.56 -27.16 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.97 14.92 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -80.32 154.98 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 24' ' ' LEU . 11.4 tp -107.87 -3.69 18.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.49 129.28 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.1 tpt180 -138.03 139.94 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.74 139.21 53.22 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' PRO . 17.9 mttm -34.43 131.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 27' ' ' PRO . 5.2 mmmt -114.25 176.48 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -111.8 147.79 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.86 131.77 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -95.17 109.65 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 15.7 ttt85 -176.72 164.07 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 1.1 p -152.78 168.33 26.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 45.2 m-85 -152.83 170.07 21.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -117.62 -17.85 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 ' O ' HD11 ' A' ' 14' ' ' LEU . 16.2 p -120.42 159.19 25.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.619 ' CE ' HD23 ' A' ' 41' ' ' LEU . 8.7 tpt -63.84 -56.01 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -45.49 -36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 5.7 mm-40 -60.48 -47.32 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.619 HD23 ' CE ' ' A' ' 38' ' ' MET . 45.1 tp -63.29 -56.56 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.2 t -54.86 -52.59 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -55.98 -26.73 49.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 38.0 t60 -83.03 -62.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.678 ' CG1' HG21 ' A' ' 82' ' ' ILE . 60.8 t -54.52 -21.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.1 m -93.0 -56.26 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.1 mtt -88.12 -49.88 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 7.9 mm-40 -70.82 4.08 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.17 -73.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.6 t -69.84 -2.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 68.48 -164.06 48.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.536 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.11 -158.83 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 53.2 Cg_endo -69.81 -19.94 35.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 55' ' ' GLN . 3.7 tp10 -64.11 -62.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -36.23 119.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -75.28 -73.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -79.98 95.38 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.447 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -96.71 128.89 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 9.6 t -141.94 136.87 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.23 115.17 28.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.0 m-85 -112.42 97.52 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.4 t-105 -90.88 146.78 23.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' TRP . 15.3 tt0 -36.69 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' TRP . 51.4 mm-40 -147.15 48.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.572 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 48.5 t -86.89 136.04 34.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -25.63 28.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.563 ' HG2' ' CE1' ' A' ' 81' ' ' HIS . 24.6 mmm180 -66.49 -20.06 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER 34.43 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 98.64 30.76 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' ARG . 11.3 mmmt -98.52 95.73 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -62.64 163.36 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.51 161.13 15.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.2 ttpm? -78.75 5.83 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -163.82 158.73 20.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.11 -60.29 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.429 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 55.3 p90 -50.97 -19.72 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -79.0 -40.88 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 78' ' ' LEU . 3.3 tp -79.06 -36.56 40.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.43 HG12 ' CZ ' ' A' ' 83' ' ' ARG . 70.3 t -60.4 -58.21 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 76' ' ' TYR . 80.9 m-20 -53.36 -27.6 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.877 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.8 t60 -67.78 -36.9 81.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.678 HG21 ' CG1' ' A' ' 45' ' ' VAL . 6.9 mt -61.61 -26.26 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' ARG . 2.0 mpt_? -49.7 -39.78 38.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.877 HG22 ' O ' ' A' ' 81' ' ' HIS . 19.4 m -63.49 -24.17 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.7 1.27 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 87' ' ' GLY . 1.3 p -129.45 -58.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 57.84 23.56 51.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' OE2' ' CD2' ' A' ' 14' ' ' LEU . 56.8 tt0 -107.84 131.69 54.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.672 ' HE2' HG21 ' A' ' 101' ' ' ILE . 2.6 mppt? -135.57 152.96 77.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.432 ' HD1' HD22 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -156.02 142.12 13.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.839 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -90.23 135.7 29.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.8 1.48 4.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.8 t80 -95.67 132.7 26.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 -53.94 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 42.61 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.436 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 33.9 t -132.57 -59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.91 27.15 70.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 6.7 tptm -94.38 151.02 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.839 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.6 mt -140.44 154.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -136.99 134.79 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.45 0.01 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -125.28 131.11 53.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.1 p -61.63 -47.09 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.8 ' OE2' HD12 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -60.53 -29.9 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.58 -51.17 61.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' HD1' ' A' ' 91' ' ' PHE . 50.6 tp -54.72 -53.98 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.17 -48.49 64.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.8 HD12 ' OE2' ' A' ' 106' ' ' GLU . 68.1 mt -64.21 -25.22 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.588 ' HA ' HG22 ' A' ' 114' ' ' THR . 42.6 t60 -79.98 -43.79 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 5.9 mtpm? -57.03 -31.29 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -81.57 -24.23 36.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 111' ' ' HIS . 1.3 t -101.22 -8.14 22.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.456 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -130.88 -44.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 116' ' ' THR . 53.5 m -96.21 67.2 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -120.3 -49.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.9 157.12 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -90.83 144.28 30.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -41.34 4.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.2 106.79 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -115.97 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.7 t -39.5 110.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.45 -11.33 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 145' ' ' HIS . 4.5 t80 -72.0 122.17 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 152.93 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.76 8.87 42.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.65 143.58 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -124.58 107.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -144.39 -177.31 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -149.94 126.71 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -136.72 160.82 37.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -119.91 -10.8 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.85 135.84 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -50.91 -27.86 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 m -66.4 -55.58 15.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.34 -42.42 77.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.85 -47.94 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -65.19 -17.75 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -80.12 -20.36 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 45.3 t60 -89.0 -2.4 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -87.96 -20.99 25.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -56.11 -20.19 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.17 -16.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 125' ' ' PHE . 21.1 m-70 -76.87 -41.47 43.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.599 HG23 ' OD2' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -57.18 158.62 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m -68.72 101.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.599 ' OD2' HG23 ' A' ' 146' ' ' THR . 8.3 p30 -167.52 134.13 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 93.75 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -126.98 179.75 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 121.66 81.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -17.92 37.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.8 p -164.13 168.81 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.6 t -112.05 136.37 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -127.02 59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -117.81 55.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.2 -151.42 26.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -123.42 133.79 54.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -86.15 121.82 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.23 57.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.414 HE21 ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -94.94 145.73 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -167.48 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.2 mt -107.38 128.0 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -109.67 136.13 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -95.68 119.73 34.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' CD ' ' N ' ' A' ' 14' ' ' LEU . 1.6 tp10 -82.62 131.49 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 13' ' ' GLU . 3.1 mt -125.27 159.31 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 p -134.08 127.83 32.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -100.3 91.93 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -81.71 98.71 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.663 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.9 t-105 -107.03 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.418 HG23 HE22 ' A' ' 23' ' ' GLN . 2.6 mt -120.79 100.27 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.27 128.88 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 6.9 mt-10 -69.61 -29.82 67.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.21 33.3 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.418 HE22 HG23 ' A' ' 19' ' ' ILE . 16.3 pt20 -77.39 122.78 25.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.0 tt -75.38 3.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.17 130.43 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 19.8 mmm-85 -133.98 155.87 79.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.8 155.12 93.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.383 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -48.75 110.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.17 136.09 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.29 122.26 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -97.24 125.74 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -177.75 161.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.5 p -137.26 159.4 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 m-85 -143.66 147.15 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -82.77 -22.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.1 171.66 13.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.715 ' SD ' HG21 ' A' ' 86' ' ' THR . 17.1 tpp -69.74 -55.91 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -46.87 -37.18 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.57 -34.98 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 10.1 tp -77.95 -51.1 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -51.77 -55.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.2 m -46.99 -30.85 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.539 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 39.0 t60 -80.28 -62.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.632 HG12 HD13 ' A' ' 82' ' ' ILE . 13.0 t -54.23 -21.76 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.2 m -93.12 -56.59 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.8 mtt -87.73 -49.88 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 47.6 mm-40 -70.76 3.79 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.663 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.1 m-70 -142.78 -73.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 82' ' ' ILE . 55.8 t -70.08 -2.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 51.89 176.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -161.09 7.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.83 34.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.41 -15.4 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.538 ' N ' ' CD ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -86.92 106.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -55.87 -73.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.75 106.96 18.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.441 ' HB2' HG13 ' A' ' 50' ' ' VAL . 2.7 p-80 -107.42 121.88 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.45 136.54 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -105.1 117.53 34.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 21' ' ' GLU . 49.0 m-85 -103.56 97.22 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.5 t-105 -90.32 145.29 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -44.71 -21.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.548 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 5.1 tt0 -158.44 33.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 3.4 t -46.95 134.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -18.95 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.98 -13.45 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 63.03 37.49 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.9 64.18 4.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -112.04 136.09 51.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 p -61.66 168.62 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -122.12 -179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.18 -6.56 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.699 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -163.85 176.87 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -76.41 -58.41 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -52.34 -19.71 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.699 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 11.4 mmmt -72.41 -38.72 68.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 58' ' ' HIS . 18.9 tp -82.04 -44.26 16.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.46 -41.87 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -67.81 -35.41 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.666 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.0 t60 -58.95 -52.43 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.632 HD13 HG12 ' A' ' 45' ' ' VAL . 3.2 mt -51.07 -18.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -66.19 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.4 m -72.13 -21.97 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.551 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.3 m-70 -69.14 -11.25 60.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.715 HG21 ' SD ' ' A' ' 38' ' ' MET . 7.2 p -104.74 -44.83 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.51 20.43 66.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -107.53 114.74 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -95.88 153.0 39.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 53.5 Cg_endo -69.73 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -132.19 143.46 49.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.76 -168.75 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -91.62 135.88 27.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.476 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 53.6 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.1 t80 -94.1 133.51 27.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.78 -53.84 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.88 37.41 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.6 t -134.63 -66.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.67 25.89 70.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.584 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 8.5 tptm -89.77 148.53 23.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.687 HG23 ' HA ' ' A' ' 92' ' ' PRO . 2.1 mt -129.09 150.44 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.584 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 5.6 m-85 -134.15 139.22 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 90' ' ' PRO . . . -75.66 -18.34 59.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -110.88 131.5 55.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -61.08 -46.22 91.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.13 -33.23 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.44 -32.04 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HG ' ' CD ' ' A' ' 112' ' ' LYS . 2.1 tp -73.05 -51.36 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -56.56 -48.3 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 96.9 mt -64.38 -35.39 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.864 ' O ' HG22 ' A' ' 114' ' ' THR . 21.1 t60 -79.06 -21.66 46.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 13.8 mtpt -77.65 -29.36 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.564 ' O ' HG22 ' A' ' 116' ' ' THR . 12.2 ptm180 -75.74 -28.28 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.864 HG22 ' O ' ' A' ' 111' ' ' HIS . 10.7 t -70.93 -6.74 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -84.52 10.09 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 113' ' ' ARG . 6.3 t -105.79 -5.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -99.06 -49.4 1.6 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -88.72 131.38 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' CG ' ' CB ' ' A' ' 131' ' ' ARG . 11.3 mmmt -100.21 143.91 27.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.5 m-85 -75.76 114.38 14.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -116.13 133.84 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' LYS . 38.7 t -36.05 125.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.65 -5.81 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.611 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.9 t80 -72.68 122.56 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 6.0 tp10 -65.07 134.06 52.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 84.08 12.08 77.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 t -118.37 144.95 45.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.73 108.09 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -146.16 179.95 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.41 ' CB ' ' CG ' ' A' ' 119' ' ' LYS . 6.2 mtp85 -151.01 137.68 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 121' ' ' PHE . 14.2 m-85 -153.16 160.17 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.24 -7.54 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.424 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.2 OUTLIER -139.92 142.96 36.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 t -57.53 -35.86 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -55.9 -40.71 73.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.0 -47.58 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -60.24 -34.99 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -76.15 -24.79 54.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -74.83 -19.35 60.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 44.8 t60 -89.07 -1.1 57.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -87.93 -20.9 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -55.26 -21.07 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.39 -13.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.611 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.6 m-70 -82.45 -15.17 53.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.63 168.22 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.8 t -60.84 135.5 57.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -154.72 156.11 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.49 -30.5 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.4 t -172.66 111.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.41 ' N ' ' CD ' ' A' ' 152' ' ' PRO . . . -169.36 55.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 151' ' ' GLY . 54.2 Cg_endo -69.67 109.11 2.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.412 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 m -65.81 125.87 26.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.8 m -58.32 101.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.478 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 70.5 34.99 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -39.86 133.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.06 48.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -48.15 153.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -84.42 103.44 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.61 -175.74 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -110.39 146.04 33.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.68 63.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.42 113.11 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -84.53 103.63 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -115.4 132.0 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -92.69 129.44 38.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 41' ' ' LEU . 11.5 mt -97.29 167.62 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -146.83 130.42 16.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 101.98 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -88.22 98.78 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.683 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 14.6 t-105 -107.08 117.15 33.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 63' ' ' GLU . 3.2 mt -119.65 100.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 21' ' ' GLU . 4.4 t0 -71.29 135.77 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 1.9 pt-20 -77.06 -41.31 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.33 18.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' CD ' ' HD3' ' A' ' 28' ' ' LYS . 6.9 pt20 -70.77 138.85 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.08 5.45 51.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.6 128.0 35.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -129.75 131.86 23.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.72 173.13 45.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HD3' ' CD ' ' A' ' 23' ' ' GLN . 33.9 mmtm -60.68 118.34 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -105.67 151.85 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -100.09 163.08 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -61.7 154.87 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t0 -121.81 112.43 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -169.39 161.21 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -147.35 158.14 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 56.4 m-85 -151.69 170.08 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -112.56 -22.87 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.498 ' C ' HD11 ' A' ' 14' ' ' LEU . 1.1 p -125.32 154.37 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.533 ' SD ' HG21 ' A' ' 86' ' ' THR . 17.6 tpp -57.62 -55.9 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -43.35 -43.19 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 39.7 mm-40 -59.26 -44.74 92.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 14' ' ' LEU . 17.4 tp -65.93 -53.24 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.3 -58.68 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -48.63 -30.81 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' GLU . 25.5 t60 -79.4 -62.7 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 41' ' ' LEU . 35.5 t -54.89 -21.07 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' GLY . 11.2 m -93.57 -54.22 3.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.46 -51.11 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.6 mt-10 -70.61 3.77 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 8.7 m-70 -141.65 -73.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.82 HG21 HD11 ' A' ' 82' ' ' ILE . 56.0 t -71.02 -3.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 74.86 -179.13 45.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.5 -161.79 36.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -104.93 45.02 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -137.94 137.9 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -89.04 -75.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.75 98.55 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.513 ' HB2' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -107.16 126.44 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.0 137.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -106.95 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m-85 -102.73 97.19 7.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.522 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.7 t-105 -90.53 145.58 24.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 19' ' ' ILE . 42.9 tt0 -44.13 -21.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 62' ' ' TRP . 2.4 mt-10 -158.68 33.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.1 t -45.4 134.37 5.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -26.32 27.66 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -85.9 -22.99 27.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 70.01 28.35 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.64 62.65 3.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.82 103.4 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 p -39.2 147.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 78' ' ' LEU . 70.1 m-85 -103.65 -176.2 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -98.81 -11.51 21.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.901 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -158.51 172.28 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -58.17 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.484 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 31.8 p90 -54.94 -18.02 4.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.901 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 12.0 mmmm -74.53 -38.29 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 72' ' ' PHE . 13.3 tp -83.98 -42.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.447 HG22 HG23 ' A' ' 46' ' ' THR . 53.0 t -55.0 -46.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.9 OUTLIER -56.72 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.744 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.1 t60 -62.43 -47.43 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.82 HD11 HG21 ' A' ' 50' ' ' VAL . 3.4 mt -54.58 -17.12 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mmm-85 -69.94 -32.57 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.0 m -72.03 -20.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.522 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.1 m-70 -70.96 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.533 HG21 ' SD ' ' A' ' 38' ' ' MET . 19.9 p -103.58 -61.33 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.69 27.05 7.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.18 136.62 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.561 ' HE2' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -134.89 156.6 78.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 54.2 Cg_endo -69.74 -52.23 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -156.45 140.73 11.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.897 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.1 Cg_endo -69.73 -171.28 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.264 . . . . 0.0 112.365 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -89.92 136.08 29.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.4 t80 -94.76 133.93 25.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.79 -53.91 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.07 46.81 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.4 t -136.79 -48.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.14 28.8 19.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 19.7 tptt -95.66 153.61 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.897 HG23 ' HA ' ' A' ' 92' ' ' PRO . 3.4 mt -143.69 159.8 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -143.51 131.69 21.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HA ' ' CD ' ' A' ' 90' ' ' PRO . . . -70.41 -10.39 58.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -110.28 132.56 54.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.7 p -67.96 -35.45 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.8 -20.97 55.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -81.57 -38.86 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 102' ' ' PHE . 10.7 tp -65.22 -52.66 53.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 110' ' ' ILE . 5.0 ptpt -55.39 -49.22 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 88.8 mt -55.05 -33.92 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.698 ' CE1' ' CB ' ' A' ' 115' ' ' HIS . 6.3 t60 -77.07 -54.14 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 116' ' ' THR . 10.0 mtpt -46.05 -28.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 5.5 ptm180 -86.12 -28.9 23.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.686 HG22 ' HA ' ' A' ' 111' ' ' HIS . 1.2 t -101.38 1.41 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.698 ' CB ' ' CE1' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -121.69 -1.77 9.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 112' ' ' LYS . 9.8 t -98.33 -35.09 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.94 -14.42 16.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.2 138.19 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 151.06 37.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.97 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -110.57 108.64 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.2 ttpp -116.73 127.89 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 122' ' ' LYS . 43.8 t -36.4 117.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -72.84 -5.33 37.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.527 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.0 t80 -72.5 121.95 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.1 153.55 29.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.85 16.84 53.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.63 143.18 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -124.96 105.94 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 3.8 mmm180 -142.61 179.79 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -151.63 125.41 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 138' ' ' ARG . 9.3 m-85 -132.75 163.61 28.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.86 -15.03 10.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.541 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -138.4 141.54 39.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t -48.2 -53.94 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.1 m -41.24 -54.82 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.32 -52.52 61.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.493 ' HB2' ' CD2' ' A' ' 132' ' ' PHE . 13.3 ttp180 -54.58 -42.82 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -68.94 -26.84 65.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 11.7 mtpp -75.14 -19.13 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 65.3 t60 -85.42 -1.67 57.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.8 mmt -87.85 -23.22 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -54.63 -20.81 8.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.51 -15.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.527 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.1 m-70 -80.62 -0.78 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 60.3 p -90.7 -73.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 148' ' ' ASP . 1.5 p -114.42 -69.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 147' ' ' SER . 4.8 t70 -35.81 126.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -132.64 153.4 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 151' ' ' GLY . 13.5 p -170.46 150.16 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 150' ' ' SER . . . -32.9 96.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 150' ' ' SER . 53.5 Cg_endo -69.75 -27.89 25.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.322 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.7 t -87.18 83.56 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 41.4 m -50.42 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.509 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -149.05 135.37 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -137.4 133.64 35.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.27 67.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -141.9 114.05 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -152.82 -177.61 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.47 150.66 21.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.19 144.28 28.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mt -90.98 114.9 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -100.27 127.25 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.403 HE22 ' HB1' ' A' ' 103' ' ' ALA . 10.0 tt0 -90.14 144.83 25.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.52 131.58 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 37' ' ' THR . 4.5 mt -104.15 163.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -127.76 140.82 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.19 92.83 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -86.23 98.97 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 20.1 t-105 -107.33 122.5 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 5.4 mt -122.66 99.21 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.2 t70 -74.5 104.04 5.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 4.8 pt-20 -35.71 -36.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . -101.24 46.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.87 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 24' ' ' LEU . 1.9 tm? -123.91 1.71 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.29 174.03 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 8.1 mmt85 -149.94 132.92 8.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.75 -179.44 19.16 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.316 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -56.93 131.87 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -114.31 144.15 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.51 162.46 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 128.11 34.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 92.73 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -131.88 163.43 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.6 p -149.29 158.69 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 41' ' ' LEU . 70.1 m-85 -151.01 171.01 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.6 m -107.35 -12.64 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.472 ' O ' HD11 ' A' ' 14' ' ' LEU . 72.8 p -138.3 169.6 17.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 tpp -69.89 -55.91 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -48.66 -47.71 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.89 -32.95 22.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 45' ' ' VAL . 18.6 tp -77.93 -47.52 18.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.58 -56.68 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.1 m -47.55 -31.79 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 34.7 t60 -80.45 -62.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.453 HG23 HD12 ' A' ' 41' ' ' LEU . 42.9 t -53.86 -21.98 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.8 m -93.09 -56.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.3 mtt -87.55 -49.91 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 18.7 mm-40 -70.54 3.31 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.46 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 82' ' ' ILE . 54.5 t -69.96 -2.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 65.72 -157.77 47.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.29 -165.24 20.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -2.49 10.23 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.83 -23.67 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 109.41 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -50.5 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -83.22 112.51 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.544 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -100.47 109.71 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.91 138.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.03 113.13 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -98.65 97.16 8.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.57 145.37 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.97 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' TRP . 36.3 mm-40 -158.82 33.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 4.0 t -47.02 134.36 8.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.24 11.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.518 HH21 ' CD2' ' A' ' 81' ' ' HIS . 5.5 mtm105 -101.26 -28.4 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 8.7 mt-10 79.13 26.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.43 56.23 5.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -108.38 104.42 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -43.97 159.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -105.67 -175.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -95.88 -1.5 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -169.28 -174.82 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -81.7 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 77' ' ' LYS . 35.9 p90 -51.72 -27.89 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 13.9 mmmm -67.64 -31.85 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 60' ' ' CYS . 16.1 tp -86.02 -46.78 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.08 -42.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.677 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.3 t60 -62.78 -46.29 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 50' ' ' VAL . 2.9 mt -54.39 -19.5 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.31 -16.03 63.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.1 m -88.36 -23.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.682 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 7.6 m-70 -73.42 -5.35 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 41' ' ' LEU . 41.0 p -107.62 -4.76 17.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.87 14.81 3.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -81.37 123.54 28.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.719 ' HG3' HG21 ' A' ' 101' ' ' ILE . 9.3 mmmt -97.42 153.06 38.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.711 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.408 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 53.7 Cg_endo -69.81 -51.37 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.736 2.29 . . . . 0.0 112.306 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.8 OUTLIER -156.29 128.99 4.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.657 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.2 Cg_endo -69.71 -169.12 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -90.38 136.13 28.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.464 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.72 3.75 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.454 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 1.7 t80 -107.76 126.46 29.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.4 Cg_endo -69.71 -52.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.79 -2.74 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 12.1 t -99.26 -50.19 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.87 29.01 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 33.5 tptt -94.46 152.18 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.719 HG21 ' HG3' ' A' ' 89' ' ' LYS . 7.1 mt -135.12 137.95 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -121.84 160.06 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.403 ' HB1' HE22 ' A' ' 12' ' ' GLN . . . -99.69 -14.3 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -114.94 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.58 -47.52 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.33 -34.31 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -67.53 -45.44 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 102' ' ' PHE . 9.5 tp -65.7 -55.56 16.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -50.6 -43.55 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 109' ' ' LYS . 95.1 mt -72.15 -31.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.915 ' O ' HG22 ' A' ' 114' ' ' THR . 27.1 t60 -80.95 -20.96 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.3 mtpm? -78.82 -36.31 42.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -64.58 -17.01 63.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.915 HG22 ' O ' ' A' ' 111' ' ' HIS . 6.9 t -90.29 -7.35 53.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -79.98 -48.53 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.7 t -50.05 169.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.97 -94.86 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -95.91 146.35 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.98 0.419 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.12 143.95 31.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -35.94 11.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 135' ' ' SER . 40.9 m-85 -104.13 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -122.44 135.25 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.82 114.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.51 -4.59 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.502 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -73.25 125.92 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -68.74 134.55 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.54 11.05 82.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.56 143.85 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -122.36 106.07 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' HG2' ' A' ' 131' ' ' ARG . 18.4 mmt180 -146.61 165.17 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.407 ' HG2' ' C ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -137.13 127.71 26.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.42 152.09 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -102.34 -24.37 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -125.43 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.52 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 80.4 p -51.95 -48.77 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.4 t -40.88 -48.27 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.78 -49.13 78.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.55 -37.1 72.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.77 -22.25 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -80.76 -21.19 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.0 t60 -86.03 -1.22 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.6 mmt -87.86 -21.17 25.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -55.29 -20.78 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.29 -14.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.502 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 19.5 m-70 -81.8 -36.61 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.2 m -77.45 -47.33 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 t -56.55 164.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -123.87 4.82 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -111.55 152.37 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -77.14 115.91 17.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.42 -169.21 12.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.28 53.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.392 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 21.5 t -126.15 59.95 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.9 t -71.73 -42.4 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.492 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -128.39 151.23 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -50.48 133.77 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 -112.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 -54.61 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 43.79 29.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.72 137.59 4.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.63 148.81 39.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -163.95 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.14 136.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -108.0 134.15 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.28 132.04 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -93.72 133.84 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -93.78 167.31 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -131.87 128.22 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' HG22 ' A' ' 45' ' ' VAL . 1.8 t -121.17 104.84 10.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -101.69 98.9 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 5.8 t-105 -107.09 111.34 23.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 28' ' ' LYS . 4.8 mt -114.57 102.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.916 ' OD2' ' HB3' ' A' ' 22' ' ' ALA . 28.5 t70 -78.12 114.85 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.31 -24.38 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.916 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . . . -72.53 -2.71 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ASP . 2.0 pt20 -60.53 160.28 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.22 16.94 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -112.33 150.15 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 4.4 tmm_? -143.43 133.72 12.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.77 167.25 71.74 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.339 0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 10.8 mmtp -43.85 168.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 141.84 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.1 p -103.42 137.48 41.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.78 -26.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 50.87 59.3 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 6.1 tpm_? -109.56 151.69 26.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 p -137.33 161.15 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -152.31 170.89 18.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -109.91 -9.31 14.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -144.02 153.97 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 tpp -55.58 -55.98 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -45.09 -46.13 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.18 -36.29 68.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 HD21 HG22 ' A' ' 86' ' ' THR . 15.5 tp -71.98 -57.54 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.09 -57.1 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.8 m -50.83 -28.05 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 35.7 t60 -83.0 -62.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.606 HG11 ' CG2' ' A' ' 82' ' ' ILE . 19.9 t -54.2 -21.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 25.4 m -93.1 -56.28 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.9 mtt -88.0 -49.76 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 58.2 mm-40 -70.77 3.54 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -142.73 -73.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.0 t -69.71 -2.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.37 -164.26 44.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.04 -163.48 31.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.55 4.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -86.05 -34.13 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -52.91 135.1 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.94 -71.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD22 ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -86.14 129.09 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.808 ' HB3' HD23 ' A' ' 78' ' ' LEU . 6.8 m170 -105.25 106.31 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.38 134.51 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.462 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.33 114.02 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 1.6 m-85 -100.27 97.06 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.693 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 5.8 t-105 -90.68 145.14 25.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -43.55 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 16.6 tt0 -157.86 33.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -45.06 134.01 5.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.687 0.756 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.51 36.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -94.22 -23.12 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 73.94 30.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.21 59.27 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -101.24 118.4 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 p -48.06 154.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 19.3 m-85 -110.68 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -96.08 -7.54 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -164.48 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.14 -51.71 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 2.4 p90 -58.45 -28.01 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.834 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 21.0 mmmt -62.69 -40.3 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 58' ' ' HIS . 8.2 tp -84.82 -49.35 8.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -49.6 -31.22 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.69 -35.96 60.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.861 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.8 t60 -64.38 -41.08 96.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.606 ' CG2' HG11 ' A' ' 45' ' ' VAL . 4.2 mt -51.46 -27.95 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -63.43 -29.24 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.5 m -69.16 -22.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.693 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 11.8 m-70 -74.72 -13.0 60.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.589 HG22 HD21 ' A' ' 41' ' ' LEU . 1.2 p -105.76 -50.17 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.43 41.57 25.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -108.02 117.18 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HE3' ' C ' ' A' ' 102' ' ' PHE . 7.1 mmmt -132.72 144.32 52.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.7 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CD1' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -156.27 142.51 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.853 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.74 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.8 t -89.94 135.47 30.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.471 ' CD ' HD11 ' A' ' 108' ' ' LEU . 54.1 Cg_endo -69.78 -22.78 31.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.384 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.95 128.77 93.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.697 0.761 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 125.76 12.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.03 -6.89 83.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 100' ' ' LYS . 16.1 t -80.46 -32.15 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.3 24.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 17.5 tptt -88.87 147.45 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.853 HG23 ' HA ' ' A' ' 92' ' ' PRO . 2.4 mt -139.58 152.13 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 2.1 m-85 -134.04 135.02 43.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.13 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -128.9 131.13 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.1 p -57.75 -56.28 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.31 -42.52 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.44 -42.1 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.511 HD23 ' CD1' ' A' ' 91' ' ' PHE . 10.0 tp -67.64 -44.4 78.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.66 -38.92 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -77.53 -30.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 114' ' ' THR . 66.1 t60 -77.98 -21.67 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 7.4 mtpm? -80.72 -37.85 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 113' ' ' ARG . 3.5 ptm85 -66.82 -28.28 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 111' ' ' HIS . 3.0 t -75.49 -27.12 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -57.7 -63.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -38.55 134.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 89.59 -54.33 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -81.05 122.2 27.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' CD ' ' HD2' ' A' ' 120' ' ' PRO . 12.2 mmtp -94.02 157.93 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.425 ' HD2' ' CD ' ' A' ' 119' ' ' LYS . 53.8 Cg_endo -69.71 -47.78 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -93.42 124.25 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -122.94 136.33 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 49.3 t -40.08 115.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -64.97 -11.5 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.1 t80 -71.02 123.22 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.6 151.32 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.91 11.73 58.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.4 t -113.68 149.29 34.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -124.91 109.21 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -149.02 179.73 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 128.56 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -139.18 154.5 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.8 -11.48 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -139.69 132.14 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -46.74 -39.79 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -51.56 -53.97 32.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.47 -37.98 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.66 -49.25 78.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 64.6 mttt -76.78 -20.44 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 47.1 t60 -84.86 -2.25 57.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.7 mmt -87.92 -21.18 25.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -55.98 -21.21 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -98.58 -16.35 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 16.6 m-70 -76.18 -19.95 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.91 -69.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -120.05 78.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -38.63 105.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -110.22 160.1 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 41.0 t -147.94 179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 136.19 -69.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 104.37 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 36.6 m -64.3 107.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.0 p -87.09 99.2 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.451 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -120.28 -179.73 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 4' ' ' GLY . 5.1 t -168.48 174.66 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 3' ' ' SER . . . 84.13 -99.29 2.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p -119.23 76.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 t -152.0 158.3 42.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 179.31 42.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -122.59 144.22 41.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 -173.21 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.92 126.62 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -88.92 137.0 32.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -84.14 139.86 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 3.1 pt-20 -90.97 148.09 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -130.47 165.08 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m -132.14 164.86 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 100.29 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.16 98.93 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 13.7 t-105 -107.13 123.45 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.509 HG23 HE22 ' A' ' 23' ' ' GLN . 1.9 mt -122.44 100.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 9.0 t70 -77.77 130.7 37.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.7 -34.04 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.93 1.87 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.509 HE22 HG23 ' A' ' 19' ' ' ILE . 15.4 pt20 -67.66 126.12 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.2 16.06 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.6 t -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.2 tpt180 -153.05 140.25 13.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.8 Cg_endo -69.74 149.89 89.24 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.343 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HE2' ' NE2' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -44.85 124.2 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.97 149.54 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -101.23 151.42 21.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 140.03 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -116.67 121.37 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 18.7 ttt85 -174.24 168.08 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 p -145.06 168.03 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE1' HD13 ' A' ' 41' ' ' LEU . 2.4 m-85 -152.16 164.62 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -104.71 -27.68 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 p -123.7 169.45 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.58 -55.97 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -48.83 -34.72 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.21 -44.33 95.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.704 HD23 HG22 ' A' ' 86' ' ' THR . 22.0 tp -67.61 -57.88 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.769 HG11 ' NH1' ' A' ' 83' ' ' ARG . 57.2 t -49.87 -53.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.6 m -50.75 -30.24 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 33.8 t60 -80.97 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.564 HG12 HD13 ' A' ' 82' ' ' ILE . 14.0 t -54.04 -21.91 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.17 -56.44 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.0 mtt -87.35 -49.96 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 31.4 mm-40 -70.85 3.51 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.3 -73.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 50' ' ' VAL . 54.9 t -69.78 -2.89 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 70.62 -170.17 46.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.21 -162.28 34.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.59 -44.25 7.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.83 107.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -54.86 -76.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.01 98.45 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.785 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.7 109.72 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.51 134.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.573 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -102.33 113.73 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -99.21 96.88 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 85' ' ' HIS . 6.0 t-105 -90.93 145.12 25.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HA ' HD12 ' A' ' 19' ' ' ILE . 28.4 tt0 -45.02 -25.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -151.42 31.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.2 t -44.41 134.23 4.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -19.59 35.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -88.57 -1.19 57.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 49.44 31.36 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.97 63.21 3.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -112.99 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LYS . 3.5 t -36.82 154.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CE1' HD13 ' A' ' 78' ' ' LEU . 63.9 m-85 -102.91 -173.71 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 15.12 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.976 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . . . -162.53 178.65 8.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -88.76 -47.9 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 24.6 p90 -65.95 -18.98 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.976 ' HG2' ' HB3' ' A' ' 74' ' ' ALA . 24.3 mmmt -70.48 -40.48 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.785 HD23 ' HB2' ' A' ' 58' ' ' HIS . 2.4 tp -80.15 -52.98 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -51.4 -30.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.4 -21.04 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.681 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.5 t60 -75.4 -44.08 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.608 HD11 HG21 ' A' ' 50' ' ' VAL . 2.0 mt -52.71 -24.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.769 ' NH1' HG11 ' A' ' 42' ' ' VAL . 15.1 mmt180 -59.25 -16.15 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.5 m -87.64 -10.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.566 ' HB3' ' CZ2' ' A' ' 62' ' ' TRP . 23.4 m-70 -98.11 -4.27 36.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.704 HG22 HD23 ' A' ' 41' ' ' LEU . 1.8 p -86.7 -75.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.13 3.34 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.65 144.5 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.86 ' HG3' HG21 ' A' ' 101' ' ' ILE . 13.0 mmmt -96.86 155.07 38.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -155.0 117.65 2.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.691 0.758 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.754 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.76 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.94 136.02 29.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.539 ' O ' ' HB1' ' A' ' 133' ' ' ALA . 54.6 Cg_endo -69.71 3.48 2.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.4 t80 -107.95 131.41 21.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.9 Cg_endo -69.77 -53.74 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.74 -2.86 13.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 13.3 t -100.48 -48.81 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.69 25.32 3.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.597 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 15.5 tptt -89.27 152.23 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.86 HG21 ' HG3' ' A' ' 89' ' ' LYS . 6.9 mt -136.21 144.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.597 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -128.87 159.85 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.08 0.09 48.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -123.37 150.17 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.4 p -76.1 -46.84 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 107' ' ' ASN . 4.0 pt-20 -60.38 -34.71 74.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.408 ' N ' ' HG2' ' A' ' 106' ' ' GLU . 2.7 m120 -60.89 -49.0 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.411 HD21 ' O ' ' A' ' 92' ' ' PRO . 7.2 tp -63.78 -59.05 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -40.9 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 72.9 mt -75.59 -31.37 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.927 ' O ' HG22 ' A' ' 114' ' ' THR . 17.5 t60 -81.0 -20.04 42.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.478 ' CE ' ' HG3' ' A' ' 94' ' ' PRO . 7.3 mtpm? -76.75 -28.65 55.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 9.9 ptm180 -77.23 -15.41 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.927 HG22 ' O ' ' A' ' 111' ' ' HIS . 10.7 t -88.79 0.95 56.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -84.09 -67.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.2 m -174.0 158.35 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . -81.27 -40.93 10.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -85.13 157.78 20.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.41 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -89.83 144.1 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.32 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.398 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.65 123.2 44.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' CYS . 14.1 ttpp -122.69 133.21 54.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.414 ' SG ' ' CB ' ' A' ' 125' ' ' PHE . 47.8 t -37.28 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.438 ' HG3' ' HE1' ' A' ' 142' ' ' MET . 4.3 pt-20 -63.89 -7.71 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.488 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.7 t80 -71.17 120.62 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 127' ' ' GLY . 10.6 tp10 -62.05 145.13 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.463 ' N ' ' CD ' ' A' ' 126' ' ' GLU . . . 70.76 18.16 75.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.47 144.57 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.92 105.97 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -151.02 177.39 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -147.23 128.24 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -127.34 158.93 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 94' ' ' PRO . . . -111.08 -19.21 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.42 ' OD1' ' CG ' ' A' ' 137' ' ' ASP . 0.7 OUTLIER -130.48 137.63 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -53.2 -36.08 60.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -55.63 -44.23 76.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 29.5 m-20 -63.75 -43.96 94.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -57.13 -45.0 83.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -72.52 -21.19 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.2 mtpp -84.89 -21.14 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 69.8 t60 -81.47 -3.39 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.438 ' HE1' ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -88.02 -18.69 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.2 OUTLIER -59.72 -20.26 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.519 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.2 -19.46 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.488 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 22.7 m-70 -72.69 -39.73 66.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.6 m -94.15 124.32 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 39.0 t -146.57 172.69 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 148' ' ' ASP . 11.2 p-10 -157.85 162.05 38.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -83.6 163.83 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.9 p 39.61 43.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -50.87 150.12 6.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -31.88 19.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 92.5 p -105.36 -179.14 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 t -149.97 151.65 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.45 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -55.04 149.66 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -120.25 -33.48 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.04 67.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 106.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -151.56 175.13 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.48 -80.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 1.6 tp-100 -112.29 140.14 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' CD ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.77 120.46 7.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.404 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -119.77 134.42 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.81 108.78 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -112.99 139.77 48.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -90.51 122.55 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 38' ' ' MET . 26.7 mt -102.3 167.9 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -140.5 131.56 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.74 87.98 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -81.3 98.89 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.74 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 18.3 t-105 -107.05 122.91 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.758 HG23 HE22 ' A' ' 23' ' ' GLN . 2.6 mt -122.73 99.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 2.5 t0 -74.6 103.27 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG2' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -37.07 -51.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.88 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.758 HE22 HG23 ' A' ' 19' ' ' ILE . 15.6 pt20 -78.91 141.94 37.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.56 16.25 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 18.7 p -111.7 144.74 40.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.4 mmm180 -153.1 134.87 8.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.73 152.5 92.3 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.341 -0.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -45.8 125.75 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HD3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -111.82 175.46 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 31' ' ' CYS . 3.1 p -117.92 125.07 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.0 t -35.01 99.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.28 111.95 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -175.11 168.96 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.638 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.7 t -156.5 174.01 16.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -152.1 167.22 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -88.5 -45.51 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.2 p -114.12 157.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.3 tpp -57.98 -54.82 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -42.02 -43.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.42 -44.55 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 86' ' ' THR . 12.8 tp -69.19 -48.75 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.663 HG22 HH22 ' A' ' 83' ' ' ARG . 13.6 t -51.38 -51.49 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.1 m -56.46 -25.82 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 38.8 t60 -83.03 -62.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 HD13 ' A' ' 82' ' ' ILE . 19.4 t -54.41 -21.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 30.1 m -93.18 -56.3 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.0 mtt -88.01 -50.01 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.531 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 30.8 mm-40 -70.63 3.41 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 10.5 m-70 -142.33 -73.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 50' ' ' VAL . 55.7 t -70.0 -2.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 48.01 -174.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.64 -168.45 42.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.69 -23.14 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 50' ' ' VAL . 8.4 mt-30 -59.02 126.77 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -46.18 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -112.54 130.73 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.58 ' HB3' HD23 ' A' ' 78' ' ' LEU . 8.4 m170 -95.85 106.79 18.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 t -139.25 136.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -110.84 112.8 24.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 11.6 m-85 -99.32 97.36 8.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 85' ' ' HIS . 6.6 t-105 -90.28 145.39 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.9 tt0 -42.39 -22.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' TRP . 32.6 mm-40 -159.55 33.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.492 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.5 t -43.8 134.52 3.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 54.1 Cg_endo -69.79 -26.17 27.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.18 -22.35 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 73.83 34.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.43 55.38 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 8.7 mmmt -87.79 89.59 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m -35.0 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 29.4 m-85 -123.24 160.71 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE2' ' CA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -99.2 40.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.791 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -173.84 136.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.807 ' O ' HG23 ' A' ' 79' ' ' VAL . 12.9 mmmt -61.32 -36.88 81.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -85.35 -6.74 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.791 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 15.8 mmtt -80.18 -41.13 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.685 ' O ' HD12 ' A' ' 78' ' ' LEU . 4.1 tp -78.83 -37.09 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 75' ' ' LYS . 44.0 t -60.16 -56.42 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.44 ' C ' ' HD2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -47.71 -28.29 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -72.12 -41.04 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.729 HD13 HG12 ' A' ' 45' ' ' VAL . 2.8 mt -58.27 -23.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.663 HH22 HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -47.72 -40.63 20.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 m -68.23 -24.27 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 5.2 m-70 -76.17 -1.06 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 41' ' ' LEU . 46.8 p -115.34 -44.73 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.31 27.35 2.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -98.6 135.41 40.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -119.21 146.11 39.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 54.2 Cg_endo -69.68 -50.8 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.608 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -155.98 143.4 13.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.898 ' HA ' HG23 ' A' ' 101' ' ' ILE . 54.0 Cg_endo -69.78 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.9 135.86 24.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.473 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.4 Cg_endo -69.72 3.13 2.93 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.7 t80 -96.9 132.5 25.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.1 Cg_endo -69.73 -53.92 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.35 42.27 3.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 18.2 t -134.14 -55.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.18 25.96 57.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 35.0 tptt -92.1 150.79 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.898 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.0 mt -139.68 140.97 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -125.82 134.35 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.64 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -110.1 131.12 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.3 p -57.94 -51.23 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 110' ' ' ILE . 6.6 tt0 -54.54 -43.25 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -58.47 -38.56 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 102' ' ' PHE . 6.3 tp -72.04 -46.7 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -60.71 -48.12 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 64.5 mt -63.99 -33.04 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.834 ' O ' HG22 ' A' ' 114' ' ' THR . 27.4 t60 -80.3 -24.43 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 14.2 mtpt -78.56 -32.47 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 0.8 OUTLIER -66.29 -29.12 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.834 HG22 ' O ' ' A' ' 111' ' ' HIS . 14.3 t -75.72 -21.58 57.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -71.01 -8.91 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 -22.91 42.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.56 -68.89 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -110.22 155.04 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -111.3 145.18 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.712 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -40.27 5.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.286 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -115.69 126.58 54.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -123.03 138.01 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 50.6 t -43.83 115.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.54 -7.37 37.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.7 t80 -71.48 141.05 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.98 152.88 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 53.78 26.9 34.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 5.9 t -121.81 139.71 53.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -120.0 106.74 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -148.01 -178.08 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -155.29 130.29 9.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.31 146.64 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.25 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.63 152.88 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 m -60.19 -49.04 79.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 p -45.59 -46.47 14.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.63 -35.12 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.22 -53.57 42.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -60.69 -20.69 61.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 15.8 mttp -76.95 -19.57 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 55.7 t60 -85.33 -2.28 57.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -87.86 -22.24 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -56.05 -20.65 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.11 -16.16 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.52 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 18.2 m-70 -77.39 -36.65 53.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.0 m -137.32 -178.23 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -79.06 114.93 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -140.79 120.88 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 44.2 t -113.23 152.74 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -160.93 -163.34 13.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 156.92 62.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.721 2.28 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.3 t -143.01 136.96 28.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.8 t -84.26 177.18 8.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.484 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -157.46 177.39 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -134.16 148.88 50.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.09 -140.78 5.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -119.52 152.79 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -40.25 147.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 -176.68 47.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -109.71 144.0 29.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.31 2.83 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 mt -94.95 112.9 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -120.45 128.22 52.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -91.37 144.15 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -94.47 131.46 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.14 161.34 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -126.6 127.9 45.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 45' ' ' VAL . 8.6 t -111.42 93.73 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' ' HZ3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -94.33 98.91 11.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 60' ' ' CYS . 9.7 t-105 -107.17 114.46 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -111.52 113.67 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.42 133.22 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.94 -40.18 54.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.87 28.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HA ' ' A' ' 28' ' ' LYS . 7.9 pt20 -80.54 137.54 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.9 tt -92.79 0.4 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.46 127.88 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.555 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 3.6 tpt180 -128.78 140.01 37.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.81 165.56 76.45 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' CD ' ' A' ' 23' ' ' GLN . 32.9 mmtm -50.28 118.96 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -105.04 152.42 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 5.2 p -104.97 163.94 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.19 -56.61 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.06 57.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.597 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 19.2 tpt180 -115.92 152.24 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.509 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 1.4 p -130.27 164.0 25.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -153.04 166.77 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -97.49 -32.53 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -126.06 165.24 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.852 ' CE ' HD23 ' A' ' 41' ' ' LEU . 6.1 tpt -64.82 -55.62 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -44.39 -33.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.34 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.852 HD23 ' CE ' ' A' ' 38' ' ' MET . 62.2 tp -72.8 -38.84 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.44 -57.46 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.1 m -53.37 -28.03 27.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t60 -82.78 -62.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.633 ' CG1' HG21 ' A' ' 82' ' ' ILE . 75.6 t -53.72 -22.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 51' ' ' GLY . 42.9 m -93.04 -56.4 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.0 mtt -87.26 -50.04 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.5 mm-40 -70.67 3.26 3.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 1.3 m-70 -142.07 -74.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.925 HG21 HD11 ' A' ' 82' ' ' ILE . 55.2 t -69.42 -2.96 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 72.73 -173.76 46.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.78 -160.64 23.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.84 5.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -104.3 7.38 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 3.9 tp-100 -86.58 146.31 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 57' ' ' ASN . 1.1 p-10 -90.02 -71.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 29.2 t30 -95.21 100.76 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -90.7 111.35 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.638 ' CG1' ' CZ ' ' A' ' 61' ' ' TYR . 2.4 t -138.6 132.51 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.24 114.29 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.638 ' CZ ' ' CG1' ' A' ' 59' ' ' VAL . 2.6 m-85 -111.77 97.38 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CB ' ' HB2' ' A' ' 65' ' ' CYS . 4.7 t-105 -90.9 146.54 23.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -37.81 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 62' ' ' TRP . 3.3 mm-40 -148.6 49.63 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.566 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 41.9 t -86.57 135.24 36.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.76 37.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 1.6 mmp_? -67.38 -32.21 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 54.05 15.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.587 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . 119.59 -24.69 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.55 105.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -177.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -113.69 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -100.69 -10.65 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . . . -148.59 153.48 38.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -63.46 -54.46 36.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 77' ' ' LYS . 6.2 p90 -55.91 -34.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -68.77 -33.61 74.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.99 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -77.01 -43.73 33.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.37 -51.56 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -51.48 -33.8 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.764 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 t60 -68.65 -39.5 80.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.925 HD11 HG21 ' A' ' 50' ' ' VAL . 10.9 mt -65.01 -16.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.5 -20.94 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 81' ' ' HIS . 4.8 m -80.87 -21.66 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -77.87 -4.54 47.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.467 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 26.9 p -117.24 -64.87 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 86' ' ' THR . . . 136.2 29.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -108.06 148.92 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.777 ' HG2' HG22 ' A' ' 101' ' ' ILE . 1.2 tptt -95.77 147.36 32.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.75 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.031 ' CE2' HD23 ' A' ' 108' ' ' LEU . 1.5 p90 -154.03 122.2 3.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.783 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.3 Cg_endo -69.71 -165.8 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 42.6 t -89.74 131.23 40.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 2.9 t80 -68.8 132.75 90.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.8 Cg_endo -69.73 -53.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.23 40.8 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 8.2 t -135.71 -55.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.36 19.26 39.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 7.3 tptm -83.25 150.91 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.783 HG23 ' HA ' ' A' ' 92' ' ' PRO . 5.0 mt -129.51 147.43 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.617 ' CZ ' ' CG ' ' A' ' 111' ' ' HIS . 9.0 m-85 -131.92 135.17 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.47 -13.1 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.13 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -61.23 -48.48 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.75 -30.11 65.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -53.28 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.031 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.2 tp -61.36 -53.4 57.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -52.83 -34.19 52.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 96.8 mt -84.33 -29.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.701 ' O ' HG22 ' A' ' 114' ' ' THR . 57.8 t60 -79.41 -22.24 44.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -79.65 -28.52 40.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ILE . 1.4 ptp180 -76.09 -32.97 59.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 111' ' ' HIS . 11.6 t -68.17 -22.27 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -67.67 -3.84 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.58 177.25 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.9 -77.75 1.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.49 137.92 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.482 ' CG ' ' HB3' ' A' ' 131' ' ' ARG . 7.5 mmpt? -111.26 147.17 36.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -50.56 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 132' ' ' PHE . 3.2 m-85 -77.24 102.99 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' CYS . 25.9 ttpt -106.31 137.6 43.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' LYS . 25.8 t -37.57 134.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -85.1 -6.41 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.696 ' CG ' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -71.73 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.17 21.08 79.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 10.7 t -121.09 148.62 43.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.99 109.1 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -151.95 173.78 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.482 ' HB3' ' CG ' ' A' ' 119' ' ' LYS . 10.5 mmt180 -145.28 134.37 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 121' ' ' PHE . 38.8 m-85 -147.4 161.5 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -117.86 -11.23 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.71 136.46 35.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -49.0 -37.76 21.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.2 m -53.45 -52.19 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.75 -48.19 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -59.05 -36.99 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -73.64 -24.38 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -74.4 -21.11 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 39.4 t60 -86.27 0.29 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.5 mmt -87.67 -20.31 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -56.43 -20.09 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -99.38 -18.01 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.696 ' CE1' ' CG ' ' A' ' 125' ' ' PHE . 17.2 m-70 -76.86 -34.0 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.29 1.37 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.6 t -113.57 144.94 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -93.42 13.64 21.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -102.82 151.36 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.9 t -60.13 -29.9 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 162.25 161.11 11.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 80.6 p -91.8 107.08 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -110.35 -64.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.19 -0.784 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -131.88 87.8 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -166.58 138.09 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.46 168.74 29.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -123.36 158.06 31.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.39 . . . . 0.0 110.806 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -151.11 140.61 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 71.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.15 146.33 36.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.72 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 mt -96.71 140.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -90.9 137.64 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -90.55 127.28 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.7 133.87 34.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.609 ' O ' HG22 ' A' ' 34' ' ' THR . 8.8 mt -92.54 167.89 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.1 m -148.61 134.89 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.33 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -83.59 98.85 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CG ' ' CE1' ' A' ' 49' ' ' HIS . 15.4 t-105 -107.03 118.58 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.437 HD12 ' HG3' ' A' ' 63' ' ' GLU . 2.6 mt -118.36 99.11 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 18.5 m-20 -74.0 112.18 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.72 -32.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.35 39.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -42.35 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.2 tt -106.53 0.02 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -128.09 174.68 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 12.0 tpt180 -146.93 132.87 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -172.09 7.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.332 0.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 87.2 mttt -63.33 126.92 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 160.61 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.73 152.09 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.64 98.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.25 84.88 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -140.66 158.15 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 14' ' ' LEU . 4.3 p -148.78 168.19 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -152.44 170.11 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -96.85 -36.2 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -114.32 158.77 21.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.7 tpp -65.44 -44.0 88.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -53.06 -43.27 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.12 -39.23 74.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 tp -73.46 -51.57 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 HH12 ' A' ' 83' ' ' ARG . 10.6 t -50.76 -56.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -52.91 -26.31 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 37.3 t60 -82.89 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.628 ' CG1' HG21 ' A' ' 82' ' ' ILE . 37.6 t -54.1 -21.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 51' ' ' GLY . 19.3 m -93.05 -56.33 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 mtt -87.96 -49.87 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 24.3 mm-40 -70.67 3.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.718 ' CE1' ' CG ' ' A' ' 18' ' ' TRP . 9.9 m-70 -142.38 -73.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.772 HG21 HD11 ' A' ' 82' ' ' ILE . 54.9 t -69.7 -2.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 69.42 -169.69 43.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.67 -165.48 30.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.43 10.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.72 27.82 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.766 HE21 ' N ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -85.74 -63.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -81.5 102.56 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.517 ' HB2' HD23 ' A' ' 78' ' ' LEU . 1.8 p-80 -109.27 111.27 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.2 t -140.14 138.34 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -112.05 116.86 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.8 96.78 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.574 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 3.9 t-105 -90.39 144.93 25.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 19' ' ' ILE . 46.6 tt0 -43.71 -26.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -151.56 30.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' N ' ' HB3' ' A' ' 62' ' ' TRP . 4.0 t -42.53 134.24 2.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.66 26.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' C ' ' HG3' ' A' ' 68' ' ' GLU . 16.4 mmm180 -85.25 -18.65 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 67' ' ' ARG . 4.3 mt-10 69.47 34.93 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.43 61.5 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -109.52 113.67 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.9 p -43.27 161.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.79 -179.8 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -84.72 -22.12 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 76' ' ' TYR . . . -147.84 170.59 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -52.65 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.401 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 13.7 p90 -58.38 -24.14 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.61 -37.43 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 58' ' ' HIS . 54.8 tp -80.11 -41.67 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.59 -34.13 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -74.64 -25.33 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.656 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.8 t60 -71.04 -49.51 44.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.772 HD11 HG21 ' A' ' 50' ' ' VAL . 3.7 mt -55.57 -17.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.529 ' HE ' ' N ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -61.51 -25.58 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 81' ' ' HIS . 5.9 m -83.66 -19.98 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.574 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.9 m-70 -75.52 -25.28 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 p -63.1 -57.61 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.77 27.08 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.88 114.32 28.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' HG3' HG21 ' A' ' 101' ' ' ILE . 8.4 mmmt -133.26 147.9 66.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HG2' ' CD1' ' A' ' 91' ' ' PHE . 54.0 Cg_endo -69.77 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -156.22 121.11 2.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.913 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.1 Cg_endo -69.82 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.83 135.4 30.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -22.06 32.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.753 2.302 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.644 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 2.9 t80 -71.64 133.03 84.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.82 -53.75 0.25 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.34 38.69 2.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.9 t -130.11 -62.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.38 21.96 68.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.584 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 27.3 tptt -87.41 150.46 23.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.708 0.29 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' A' ' 92' ' ' PRO . 4.9 mt -142.1 147.42 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.584 ' CE1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -130.92 148.95 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.52 -13.52 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -114.34 149.64 35.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 t -73.66 -50.36 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 110' ' ' ILE . 14.4 tt0 -58.41 -35.62 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 107' ' ' ASN . 1.0 OUTLIER -64.28 -28.18 69.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.855 HD21 ' O ' ' A' ' 92' ' ' PRO . 4.5 tp -85.49 -56.2 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.38 -24.74 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 106' ' ' GLU . 86.8 mt -85.06 -32.49 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 115' ' ' HIS . 8.2 t60 -80.24 -19.26 47.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -74.83 -26.96 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -86.44 -35.04 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.565 ' O ' ' C ' ' A' ' 115' ' ' HIS . 1.4 t -99.25 -18.35 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.644 ' CE1' ' CG ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER 21.34 54.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 13.9 m -92.06 158.21 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . 82.14 -54.25 4.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.61 131.52 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -121.63 147.59 48.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -41.16 4.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -116.58 113.66 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -120.08 136.56 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.8 t -42.55 118.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.21 -4.71 37.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.675 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 5.2 t80 -71.98 139.49 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -73.67 155.77 38.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.15 13.85 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.57 138.79 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.82 106.54 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 141' ' ' HIS . 56.0 mmm-85 -145.73 174.47 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 142.9 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -143.21 160.21 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -111.1 -20.19 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -129.17 150.94 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.4 p -52.01 -48.95 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 p -55.91 -55.55 31.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.423 ' CG ' ' OD1' ' A' ' 134' ' ' ASN . 7.2 m-20 -45.15 -28.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -83.07 -53.28 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -66.88 -15.01 63.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -78.96 -20.85 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.611 ' CE1' ' NH1' ' A' ' 130' ' ' ARG . 37.8 t60 -88.11 -0.12 56.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.71 -23.1 25.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -52.93 -20.45 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.24 -16.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.675 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 -77.74 -7.82 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -42.79 -24.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.9 m -109.88 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -125.49 144.35 50.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -112.9 113.21 25.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.8 t -42.07 141.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -162.83 -89.37 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -169.2 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.0 t -134.64 147.02 50.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -96.31 100.14 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.446 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -149.6 149.28 30.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -125.56 162.11 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.7 -176.43 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.16 111.24 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -124.36 121.6 35.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.98 172.04 37.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 9.6 tt0 -101.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.79 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.94 132.11 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -95.32 106.18 18.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.772 ' NE2' HD21 ' A' ' 14' ' ' LEU . 3.7 pm0 -91.96 144.74 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.71 145.17 26.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.907 ' O ' HG22 ' A' ' 34' ' ' THR . 9.6 mt -109.62 168.06 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 m -140.2 128.12 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.625 ' SG ' HG22 ' A' ' 45' ' ' VAL . 2.3 t -122.97 98.43 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -93.77 98.09 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.644 ' CE3' ' CD2' ' A' ' 49' ' ' HIS . 8.1 t-105 -107.97 122.65 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 4.1 mt -124.13 99.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLN . 42.5 t0 -83.28 114.92 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -39.28 -31.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.93 40.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -44.83 169.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -101.18 -14.21 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.418 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.4 175.21 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -150.62 134.94 9.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.1 Cg_endo -69.79 -166.55 3.32 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 22.6 mttp -70.38 132.98 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -133.58 162.76 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -88.88 142.45 27.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -41.72 -26.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 55.55 52.78 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 34' ' ' THR . 6.9 tpm_? -111.43 151.0 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.907 HG22 ' O ' ' A' ' 14' ' ' LEU . 7.0 p -149.03 161.8 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 62.9 m-85 -152.15 171.03 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.5 p -95.23 -39.43 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.484 ' O ' HD11 ' A' ' 14' ' ' LEU . 1.3 p -111.45 157.24 20.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.3 tpp -58.89 -55.77 30.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -42.74 -39.0 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 35' ' ' PHE . 30.6 mt-10 -63.38 -42.85 98.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 86' ' ' THR . 13.2 tp -68.45 -49.04 62.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.52 -54.34 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 37.8 m -52.3 -29.31 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 48' ' ' GLU . 45.5 t60 -81.5 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.625 HG22 ' SG ' ' A' ' 16' ' ' CYS . 22.0 t -54.58 -21.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.8 m -93.02 -56.73 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.5 mtt -87.84 -49.79 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 10.1 mm-40 -70.82 4.13 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.644 ' CD2' ' CE3' ' A' ' 18' ' ' TRP . 1.4 m-70 -143.4 -74.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 82' ' ' ILE . 54.3 t -69.18 -3.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' THR . . . 67.34 -160.19 49.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.32 -164.93 22.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.461 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' GLN . 52.1 mt-10 -83.45 -54.01 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -38.0 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -84.6 -68.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -91.18 121.27 32.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.698 ' HB3' HD23 ' A' ' 78' ' ' LEU . 22.9 m80 -108.4 106.25 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.7 t -141.58 118.09 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -88.59 118.25 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -97.4 97.03 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 85' ' ' HIS . 6.1 t-105 -90.35 145.77 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 3.9 tm-20 -48.53 -18.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -156.0 34.37 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 62' ' ' TRP . 1.1 t -55.43 136.12 69.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.7 0.762 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 53.8 Cg_endo -69.75 -34.46 14.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.379 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.816 HH22 HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -67.4 -4.99 12.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 39.43 44.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.3 75.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.4 ttpt -85.99 80.54 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' LYS . 74.9 m -34.58 133.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.604 ' CE2' ' NH2' ' A' ' 67' ' ' ARG . 52.9 m-85 -98.08 149.53 22.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 38.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB3' ' CG ' ' A' ' 77' ' ' LYS . . . -170.15 113.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HE3' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -51.65 -30.49 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CE1' ' CD ' ' A' ' 77' ' ' LYS . 3.6 p90 -73.96 -33.99 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.694 ' CG ' ' HB3' ' A' ' 74' ' ' ALA . 11.0 mmmm -64.02 -39.39 94.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -73.28 -40.36 64.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.4 t -61.18 -56.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.25 -35.8 67.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -57.0 -43.21 81.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 50' ' ' VAL . 2.8 mt -56.24 -18.04 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 4.8 mmt85 -69.69 -27.48 65.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 81' ' ' HIS . 3.1 m -78.4 -22.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.793 ' CD2' ' CE3' ' A' ' 62' ' ' TRP . 4.2 m-70 -69.17 -8.39 45.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.702 HG22 HD21 ' A' ' 41' ' ' LEU . 20.6 p -101.94 -61.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.48 55.32 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' OE2' HD22 ' A' ' 14' ' ' LEU . 11.6 tt0 -75.68 114.98 14.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' HE2' ' C ' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -103.46 160.54 25.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.537 0.684 . . . . 0.0 110.906 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -52.29 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.64 131.61 5.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.89 ' HA ' HG23 ' A' ' 101' ' ' ILE . 53.8 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 43.4 t -90.77 136.71 27.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.669 0.747 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.476 ' CG ' ' HG2' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.71 3.92 2.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 96' ' ' PRO . 3.8 t80 -99.56 134.36 21.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 95' ' ' PHE . 54.5 Cg_endo -69.71 -54.07 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.44 45.02 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 95' ' ' PHE . 22.8 t -134.52 -48.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.96 22.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 tptm -95.81 153.62 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.89 HG23 ' HA ' ' A' ' 92' ' ' PRO . 6.1 mt -144.22 158.27 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -141.63 132.17 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.24 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -110.11 130.95 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -55.72 -60.15 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 107' ' ' ASN . 18.8 pt-20 -48.54 -41.07 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 2.5 m120 -55.44 -35.45 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -76.73 -42.25 41.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -64.02 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.49 -32.11 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.659 ' HA ' HG22 ' A' ' 114' ' ' THR . 28.0 t60 -75.9 -46.65 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 94' ' ' PRO . 6.2 mtpm? -55.21 -33.29 62.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -81.62 -23.28 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 111' ' ' HIS . 1.3 t -101.51 -4.76 26.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' HIS . 0.4 OUTLIER -132.28 -47.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 117' ' ' GLY . 1.0 OUTLIER -87.66 156.33 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 116' ' ' THR . . . 110.35 -40.43 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -88.97 158.08 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.63 ' HZ3' ' N ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -88.96 125.01 63.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.1 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.3 148.99 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.63 ' N ' ' HZ3' ' A' ' 119' ' ' LYS . 0.5 OUTLIER -123.06 138.06 54.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.89 110.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.407 ' CG ' ' HD2' ' A' ' 138' ' ' ARG . 13.8 mt-10 -48.8 -19.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.79 ' CD2' ' CE1' ' A' ' 145' ' ' HIS . 4.6 t80 -73.95 112.65 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 154.94 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.2 3.22 23.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.4 t -102.18 152.92 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.466 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 12.0 t70 -123.76 106.01 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.466 ' CD ' ' O ' ' A' ' 129' ' ' ASP . 17.8 mmt180 -154.19 -173.91 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -153.04 128.49 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 63.0 m-85 -130.0 146.43 51.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -101.16 -13.27 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -140.1 150.05 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 28.2 p -62.18 -33.79 75.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.6 t -60.54 -54.85 40.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.41 -46.27 83.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.438 ' HA ' ' CD2' ' A' ' 132' ' ' PHE . 6.6 ttp180 -54.75 -41.2 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -76.51 -14.96 59.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 17.9 mttm -81.67 -25.0 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 34.9 t60 -82.61 -0.33 46.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -87.75 -20.17 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER -57.6 -20.24 31.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.401 ' N ' ' ND1' ' A' ' 143' ' ' HIS . 0.1 OUTLIER -98.74 -19.22 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.79 ' CE1' ' CD2' ' A' ' 125' ' ' PHE . 17.4 m-70 -71.05 -38.38 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -94.64 -61.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.8 t -92.36 178.06 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.05 -22.74 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -63.78 120.13 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 45.3 m -89.88 134.22 34.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.23 65.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -105.3 -73.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.1 t -128.89 164.32 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.459 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_